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

C25H35NP2 — CID 130394726

IUPACcis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
SMILESPN([C@@H]1CCCC[C@H]1CC1CCCCC1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NP2/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/h2-3,6-9,15-18,21-22,25H,1,4-5,10-14,19-20,27H2/t22-,25+/m0/s1
InChIKeyXQVICFAJQLYWDZ-WIOPSUGQSA-N
MW411.51 g/mol
LogP6.66
Rot. Bonds6

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

cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine (PubChem CID 130394726) has the molecular formula C25H35NP2 and a molecular weight of 411.51 g/mol. Its IUPAC name is cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
PubChem CID130394726
Molecular FormulaC25H35NP2
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Namecis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
SMILESPN([C@@H]1CCCC[C@H]1CC1CCCCC1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NP2/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/h2-3,6-9,15-18,21-22,25H,1,4-5,10-14,19-20,27H2/t22-,25+/m0/s1
InChIKeyXQVICFAJQLYWDZ-WIOPSUGQSA-N
XLogP6.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.66
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-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 129072832
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
chloromethylcyclohexane;triphenylphosphane
CID 87799022
cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
CID 129073733
2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
CID 121308688
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
cyclononyl(diphenyl)phosphane
CID 70908257
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)cyclohexane-1,4-diamine
CID 118617411
carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium
CID 58554792
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
cyclopentadecylmethylcyclopentadecane
CID 91804599

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine (CID 130394726) is cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(cyclohexylmethyl)-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-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
The InChIKey is XQVICFAJQLYWDZ-WIOPSUGQSA-N. The full InChI is InChI=1S/C25H35NP2/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/h2-3,6-9,15-18,21-22,25H,1,4-5,10-14,19-20,27H2/t22-,25+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine?
cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine has a molecular weight of 411.51 g/mol, XLogP of 6.66, 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-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine is sourced from PubChem (CID 130394726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).