(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine

C19H32N2 — CID 66573625

IUPAC(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-14(2)18-10-9-15(3)11-19(18)21-13-17(20)12-16-7-5-4-6-8-16/h4-8,14-15,17-19,21H,9-13,20H2,1-3H3/t15-,17+,18+,19+/m1/s1
InChIKeyYDAATSGAPPZZTK-BVBHFADKSA-N
MW288.48 g/mol
LogP3.61
Rot. Bonds6

About (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine

(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine (PubChem CID 66573625) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
PubChem CID66573625
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-14(2)18-10-9-15(3)11-19(18)21-13-17(20)12-16-7-5-4-6-8-16/h4-8,14-15,17-19,21H,9-13,20H2,1-3H3/t15-,17+,18+,19+/m1/s1
InChIKeyYDAATSGAPPZZTK-BVBHFADKSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine with MolForge

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Related Compounds

N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine
CID 60664609
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-benzamido-3-phenylpropanoate
CID 101139748

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine (CID 66573625) is (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine?
The InChIKey is YDAATSGAPPZZTK-BVBHFADKSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)18-10-9-15(3)11-19(18)21-13-17(20)12-16-7-5-4-6-8-16/h4-8,14-15,17-19,21H,9-13,20H2,1-3H3/t15-,17+,18+,19+/m1/s1.
What are the key properties of (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine?
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 66573625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).