(1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene

C142H268N6 — CID 158811197

IUPAC(1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene
SMILESC.CC(C)C1CCC(N)C(Cc2ccccc2)C1.CC(C)[C@@H]1CC[C@@H](C)[C@H](Cc2ccccc2)C1.CC(C)[C@@H]1CC[C@@H](N)C[C@@H]1C.CC(C)[C@H]1CC[C@@H](C)C[C@H]1C.CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccccc2)C1.CC1CCC(C(C)C)C(C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1
InChIInChI=1S/C17H26.2C16H25N.2C11H22.4C10H21N.3C10H20.CH4/c1-13(2)16-10-9-14(3)17(12-16)11-15-7-5-4-6-8-15;2*1-12(2)14-8-9-16(17)15(11-14)10-13-6-4-3-5-7-13;2*1-8(2)11-6-5-9(3)7-10(11)4;3*1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-5-4-9(11)6-8(10)3;3*1-8(2)10-6-4-9(3)5-7-10;/h4-8,13-14,16-17H,9-12H2,1-3H3;2*3-7,12,14-16H,8-11,17H2,1-2H3;2*8-11H,5-7H2,1-4H3;3*8-11H,4-7H2,1-3H3;7-10H,4-6,11H2,1-3H3;3*8-10H,4-7H2,1-3H3;1H4/t14-,16-,17-;14-,15-,16+;;9-,10-,11-;;;;;8-,9+,10-;;;;/m10.1....0..../s1
InChIKeyIUSDAQSADLRMLE-MPOPJLPHSA-N
MW2059.75 g/mol
LogP40.33
Rot. Bonds21

About (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene

(1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene (PubChem CID 158811197) has the molecular formula C142H268N6 and a molecular weight of 2059.75 g/mol. Its IUPAC name is (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene.

Molecular Properties

Compound Name(1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene
PubChem CID158811197
Molecular FormulaC142H268N6
Molecular Weight2059.75 g/mol
Exact Mass2058.12
IUPAC Name(1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene
SMILESC.CC(C)C1CCC(N)C(Cc2ccccc2)C1.CC(C)[C@@H]1CC[C@@H](C)[C@H](Cc2ccccc2)C1.CC(C)[C@@H]1CC[C@@H](N)C[C@@H]1C.CC(C)[C@H]1CC[C@@H](C)C[C@H]1C.CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccccc2)C1.CC1CCC(C(C)C)C(C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1
InChIInChI=1S/C17H26.2C16H25N.2C11H22.4C10H21N.3C10H20.CH4/c1-13(2)16-10-9-14(3)17(12-16)11-15-7-5-4-6-8-15;2*1-12(2)14-8-9-16(17)15(11-14)10-13-6-4-3-5-7-13;2*1-8(2)11-6-5-9(3)7-10(11)4;3*1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-5-4-9(11)6-8(10)3;3*1-8(2)10-6-4-9(3)5-7-10;/h4-8,13-14,16-17H,9-12H2,1-3H3;2*3-7,12,14-16H,8-11,17H2,1-2H3;2*8-11H,5-7H2,1-4H3;3*8-11H,4-7H2,1-3H3;7-10H,4-6,11H2,1-3H3;3*8-10H,4-7H2,1-3H3;1H4/t14-,16-,17-;14-,15-,16+;;9-,10-,11-;;;;;8-,9+,10-;;;;/m10.1....0..../s1
InChIKeyIUSDAQSADLRMLE-MPOPJLPHSA-N
XLogP40.33
TPSA114.15 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.75
LogP ≤ 540.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene
CID 158591556
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
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
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401105
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62615898
(E,1R)-3-methyl-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbut-2-en-1-ol
CID 101052478
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene?
The IUPAC name of (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene (CID 158811197) is (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene.
What is the SMILES notation for (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene?
The canonical SMILES for (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene is C.CC(C)C1CCC(N)C(Cc2ccccc2)C1.CC(C)[C@@H]1CC[C@@H](C)[C@H](Cc2ccccc2)C1.CC(C)[C@@H]1CC[C@@H](N)C[C@@H]1C.CC(C)[C@H]1CC[C@@H](C)C[C@H]1C.CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccccc2)C1.CC1CCC(C(C)C)C(C)C1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.CNC1CCC(C(C)C)CC1.
What is the InChIKey of (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene?
The InChIKey is IUSDAQSADLRMLE-MPOPJLPHSA-N. The full InChI is InChI=1S/C17H26.2C16H25N.2C11H22.4C10H21N.3C10H20.CH4/c1-13(2)16-10-9-14(3)17(12-16)11-15-7-5-4-6-8-15;2*1-12(2)14-8-9-16(17)15(11-14)10-13-6-4-3-5-7-13;2*1-8(2)11-6-5-9(3)7-10(11)4;3*1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)10-5-4-9(11)6-8(10)3;3*1-8(2)10-6-4-9(3)5-7-10;/h4-8,13-14,16-17H,9-12H2,1-3H3;2*3-7,12,14-16H,8-11,17H2,1-2H3;2*8-11H,5-7H2,1-4H3;3*8-11H,4-7H2,1-3H3;7-10H,4-6,11H2,1-3H3;3*8-10H,4-7H2,1-3H3;1H4/t14-,16-,17-;14-,15-,16+;;9-,10-,11-;;;;;8-,9+,10-;;;;/m10.1....0..../s1.
What are the key properties of (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene?
(1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene has a molecular weight of 2059.75 g/mol, XLogP of 40.33, 21 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene is sourced from PubChem (CID 158811197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).