cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine

C18H22N2 — CID 142660752

IUPACcis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
SMILESc1ccc(N[C@H]2CCCC[C@H]2Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-6,9-12,17-20H,7-8,13-14H2/t17-,18+
InChIKeyOWSIQKWSHAQSBW-HDICACEKSA-N
MW266.39 g/mol
LogP4.52
Rot. Bonds4

About cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine

cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine (PubChem CID 142660752) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
PubChem CID142660752
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Namecis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
SMILESc1ccc(N[C@H]2CCCC[C@H]2Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-6,9-12,17-20H,7-8,13-14H2/t17-,18+
InChIKeyOWSIQKWSHAQSBW-HDICACEKSA-N
XLogP4.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol
CID 71658114
N-(2-tert-butylcyclohexyl)aniline
CID 43100698
2-anilinocyclohexane-1-carbonitrile
CID 62741639
2-anilinocycloheptane-1-carbonitrile
CID 62741640
trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
CID 102496168
2-anilino-N-phenylcyclohexane-1-carboxamide
CID 12512570
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
CID 86338512
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
N-cyclopropylaniline;hydrochloride
CID 44717153

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine (CID 142660752) is cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine is c1ccc(N[C@H]2CCCC[C@H]2Nc2ccccc2)cc1.
What is the InChIKey of cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine?
The InChIKey is OWSIQKWSHAQSBW-HDICACEKSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-6,9-12,17-20H,7-8,13-14H2/t17-,18+.
What are the key properties of cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine?
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine is sourced from PubChem (CID 142660752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).