cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane

C124H252N2 — CID 162144552

IUPACcis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
SMILESC.CC(C)C1CCC(N)CC1.CC(C)C1CCCC(N)C1.CC(C)[C@@H]1CCC[C@@H](C)C1.CC(C)[C@@H]1CCC[C@@H](C)C1.CC(C)[C@@H]1CC[C@@H](C)C1.CC(C)[C@@H]1CC[C@H](C)C1.CC(C)[C@H]1CCC[C@@H](C)C1.CC(C)[C@H]1CCC[C@H](C)C1.CC(C)[C@H]1CC[C@@H](C)C1.CC(C)[C@H]1CC[C@H](C)C1.CC1CCC(C(C)C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1
InChIInChI=1S/6C10H20.2C9H19N.5C9H18.CH4/c2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;5*1-7(2)9-5-4-8(3)6-9;/h6*8-10H,4-7H2,1-3H3;2*7-9H,3-6,10H2,1-2H3;5*7-9H,4-6H2,1-3H3;1H4/t;;9-,10+;3*9-,10-;;;2*8-,9+;2*8-,9-;;/m..1110..1010../s1
InChIKeyZKJMDDCBNNXNPB-YBFCJCCESA-N
MW1771.39 g/mol
LogP41.16
Rot. Bonds13

About cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane

cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane (PubChem CID 162144552) has the molecular formula C124H252N2 and a molecular weight of 1771.39 g/mol. Its IUPAC name is cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Namecis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
PubChem CID162144552
Molecular FormulaC124H252N2
Molecular Weight1771.39 g/mol
Exact Mass1769.98
IUPAC Namecis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
SMILESC.CC(C)C1CCC(N)CC1.CC(C)C1CCCC(N)C1.CC(C)[C@@H]1CCC[C@@H](C)C1.CC(C)[C@@H]1CCC[C@@H](C)C1.CC(C)[C@@H]1CC[C@@H](C)C1.CC(C)[C@@H]1CC[C@H](C)C1.CC(C)[C@H]1CCC[C@@H](C)C1.CC(C)[C@H]1CCC[C@H](C)C1.CC(C)[C@H]1CC[C@@H](C)C1.CC(C)[C@H]1CC[C@H](C)C1.CC1CCC(C(C)C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1
InChIInChI=1S/6C10H20.2C9H19N.5C9H18.CH4/c2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;5*1-7(2)9-5-4-8(3)6-9;/h6*8-10H,4-7H2,1-3H3;2*7-9H,3-6,10H2,1-2H3;5*7-9H,4-6H2,1-3H3;1H4/t;;9-,10+;3*9-,10-;;;2*8-,9+;2*8-,9-;;/m..1110..1010../s1
InChIKeyZKJMDDCBNNXNPB-YBFCJCCESA-N
XLogP41.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001771.39
LogP ≤ 541.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
(3S)-3-methylcyclohexan-1-amine
CID 55284906
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
CID 107449541
5-methylcyclododecan-1-amine
CID 138488786

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane?
The IUPAC name of cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane (CID 162144552) is cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane.
What is the SMILES notation for cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane?
The canonical SMILES for cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane is C.CC(C)C1CCC(N)CC1.CC(C)C1CCCC(N)C1.CC(C)[C@@H]1CCC[C@@H](C)C1.CC(C)[C@@H]1CCC[C@@H](C)C1.CC(C)[C@@H]1CC[C@@H](C)C1.CC(C)[C@@H]1CC[C@H](C)C1.CC(C)[C@H]1CCC[C@@H](C)C1.CC(C)[C@H]1CCC[C@H](C)C1.CC(C)[C@H]1CC[C@@H](C)C1.CC(C)[C@H]1CC[C@H](C)C1.CC1CCC(C(C)C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.
What is the InChIKey of cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane?
The InChIKey is ZKJMDDCBNNXNPB-YBFCJCCESA-N. The full InChI is InChI=1S/6C10H20.2C9H19N.5C9H18.CH4/c2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;5*1-7(2)9-5-4-8(3)6-9;/h6*8-10H,4-7H2,1-3H3;2*7-9H,3-6,10H2,1-2H3;5*7-9H,4-6H2,1-3H3;1H4/t;;9-,10+;3*9-,10-;;;2*8-,9+;2*8-,9-;;/m..1110..1010../s1.
What are the key properties of cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane?
cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane has a molecular weight of 1771.39 g/mol, XLogP of 41.16, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane is sourced from PubChem (CID 162144552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).