(1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine

C20H27N2P — CID 155417637

IUPAC(1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCCC1NCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N2P/c21-19-13-7-8-14-20(19)22-15-16-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16,21H2/t19-,20?/m1/s1
InChIKeyQKJLKDHSPODUJF-FIWHBWSRSA-N
MW326.42 g/mol
LogP2.98
Rot. Bonds6

About (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine

(1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine (PubChem CID 155417637) has the molecular formula C20H27N2P and a molecular weight of 326.42 g/mol. Its IUPAC name is (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine
PubChem CID155417637
Molecular FormulaC20H27N2P
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name(1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCCC1NCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N2P/c21-19-13-7-8-14-20(19)22-15-16-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16,21H2/t19-,20?/m1/s1
InChIKeyQKJLKDHSPODUJF-FIWHBWSRSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 115118100
2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine
CID 115118064
2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118079
(1R)-2-diphenylphosphanylcyclohexan-1-amine
CID 155884941
N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide
CID 167682088
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine
CID 87643096
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
CID 124676095
3-[[(1R,2R)-2-aminocyclohexyl]amino]propanenitrile
CID 54146554
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777

Frequently Asked Questions

What is the IUPAC name of (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine?
The IUPAC name of (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine (CID 155417637) is (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine is N[C@@H]1CCCCC1NCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine?
The InChIKey is QKJLKDHSPODUJF-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H27N2P/c21-19-13-7-8-14-20(19)22-15-16-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16,21H2/t19-,20?/m1/s1.
What are the key properties of (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine?
(1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine has a molecular weight of 326.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 155417637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).