butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane

C25H55N — CID 143368042

IUPACbutane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane
SMILESCCC(C)C(C)C(C)C.CCCC.CCN(C(C)C)C1CC(C)CC1C
InChIInChI=1S/C12H25N.C9H20.C4H10/c1-6-13(9(2)3)12-8-10(4)7-11(12)5;1-6-8(4)9(5)7(2)3;1-3-4-2/h9-12H,6-8H2,1-5H3;7-9H,6H2,1-5H3;3-4H2,1-2H3
InChIKeyDWVGYCGIZYTWMV-UHFFFAOYSA-N
MW369.72 g/mol
LogP8.28
Rot. Bonds7

About butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane

butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane (PubChem CID 143368042) has the molecular formula C25H55N and a molecular weight of 369.72 g/mol. Its IUPAC name is butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane.

Molecular Properties

Compound Namebutane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane
PubChem CID143368042
Molecular FormulaC25H55N
Molecular Weight369.72 g/mol
Exact Mass369.43
IUPAC Namebutane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane
SMILESCCC(C)C(C)C(C)C.CCCC.CCN(C(C)C)C1CC(C)CC1C
InChIInChI=1S/C12H25N.C9H20.C4H10/c1-6-13(9(2)3)12-8-10(4)7-11(12)5;1-6-8(4)9(5)7(2)3;1-3-4-2/h9-12H,6-8H2,1-5H3;7-9H,6H2,1-5H3;3-4H2,1-2H3
InChIKeyDWVGYCGIZYTWMV-UHFFFAOYSA-N
XLogP8.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.72
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine
CID 143368043
ethane;N-ethyl-2-methyl-N-propan-2-ylcyclopropan-1-amine
CID 162751363
(4S)-2,3,4-trimethylhexane
CID 58359072
3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 64753449
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104988659
4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
CID 43269484
2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 43265755
cis-(3R,5S)-1-[(3R)-2,4-dimethyl-3-propan-2-ylhexyl]-3,5-dimethylcyclohexane
CID 142072812
1-[butyl-(2-methylcyclopropyl)amino]ethanol
CID 89249341
2-[ethyl(1-methoxypropan-2-yl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64752459
2-butan-2-yl-1,3,5-trimethylcyclohexane
CID 90972647

Frequently Asked Questions

What is the IUPAC name of butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane?
The IUPAC name of butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane (CID 143368042) is butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane.
What is the SMILES notation for butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane?
The canonical SMILES for butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane is CCC(C)C(C)C(C)C.CCCC.CCN(C(C)C)C1CC(C)CC1C.
What is the InChIKey of butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane?
The InChIKey is DWVGYCGIZYTWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C9H20.C4H10/c1-6-13(9(2)3)12-8-10(4)7-11(12)5;1-6-8(4)9(5)7(2)3;1-3-4-2/h9-12H,6-8H2,1-5H3;7-9H,6H2,1-5H3;3-4H2,1-2H3.
What are the key properties of butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane?
butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane has a molecular weight of 369.72 g/mol, XLogP of 8.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine;2,3,4-trimethylhexane is sourced from PubChem (CID 143368042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).