cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine

C25H29NP2 — CID 129072832

IUPACcis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
SMILESPN([C@@H]1CCCC[C@H]1Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NP2/c27-26(25-19-11-10-14-22(25)20-21-12-4-1-5-13-21)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,22,25H,10-11,14,19-20,27H2/t22-,25+/m0/s1
InChIKeyGEXKKELBOAXESM-WIOPSUGQSA-N
MW405.46 g/mol
LogP5.93
Rot. Bonds6

About cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine

cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine (PubChem CID 129072832) has the molecular formula C25H29NP2 and a molecular weight of 405.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
PubChem CID129072832
Molecular FormulaC25H29NP2
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Namecis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
SMILESPN([C@@H]1CCCC[C@H]1Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NP2/c27-26(25-19-11-10-14-22(25)20-21-12-4-1-5-13-21)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,22,25H,10-11,14,19-20,27H2/t22-,25+/m0/s1
InChIKeyGEXKKELBOAXESM-WIOPSUGQSA-N
XLogP5.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 130394726
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
CID 162338619
CID 162338619
2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
CID 70031264
2-amino-N-benzyl-N-(2-benzylcyclohexyl)acetamide
CID 70031263
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-amino-N-(2-benzylcyclopentyl)-N-methyl-2-phenylacetamide;hydrochloride
CID 91647289
CID 11098421
CID 11098421
[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane
CID 138723539
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
CID 121308688
cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
CID 129073733

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine (CID 129072832) is cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine is PN([C@@H]1CCCC[C@H]1Cc1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
The InChIKey is GEXKKELBOAXESM-WIOPSUGQSA-N. The full InChI is InChI=1S/C25H29NP2/c27-26(25-19-11-10-14-22(25)20-21-12-4-1-5-13-21)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,22,25H,10-11,14,19-20,27H2/t22-,25+/m0/s1.
What are the key properties of cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine has a molecular weight of 405.46 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine is sourced from PubChem (CID 129072832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).