cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine

C37H43NP2 — CID 129073733

IUPACcis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCCCC1[C@@H]1CCCC[C@H]1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H43NP2/c1-30-18-14-15-27-35(30)36-28-16-17-29-37(36)38(39(31-19-6-2-7-20-31)32-21-8-3-9-22-32)40(33-23-10-4-11-24-33)34-25-12-5-13-26-34/h2-13,19-26,30,35-37H,14-18,27-29H2,1H3/t30?,35?,36-,37+/m0/s1
InChIKeyVFSGUPAJBJRHKI-CEHNLFRSSA-N
MW563.71 g/mol
LogP8.77
Rot. Bonds8

About cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine

cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 129073733) has the molecular formula C37H43NP2 and a molecular weight of 563.71 g/mol. Its IUPAC name is cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
PubChem CID129073733
Molecular FormulaC37H43NP2
Molecular Weight563.71 g/mol
Exact Mass563.29
IUPAC Namecis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCCCC1[C@@H]1CCCC[C@H]1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H43NP2/c1-30-18-14-15-27-35(30)36-28-16-17-29-37(36)38(39(31-19-6-2-7-20-31)32-21-8-3-9-22-32)40(33-23-10-4-11-24-33)34-25-12-5-13-26-34/h2-13,19-26,30,35-37H,14-18,27-29H2,1H3/t30?,35?,36-,37+/m0/s1
InChIKeyVFSGUPAJBJRHKI-CEHNLFRSSA-N
XLogP8.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.71
LogP ≤ 58.77
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

2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
CID 121308688
1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)cyclohexane-1,4-diamine
CID 118617411
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
1-(2-methylcyclohexyl)-1-phenylhydrazine
CID 19593890
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine
CID 122391114
cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 130394726
cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 129072832
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine (CID 129073733) is cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine is CC1CCCCC1[C@@H]1CCCC[C@H]1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is VFSGUPAJBJRHKI-CEHNLFRSSA-N. The full InChI is InChI=1S/C37H43NP2/c1-30-18-14-15-27-35(30)36-28-16-17-29-37(36)38(39(31-19-6-2-7-20-31)32-21-8-3-9-22-32)40(33-23-10-4-11-24-33)34-25-12-5-13-26-34/h2-13,19-26,30,35-37H,14-18,27-29H2,1H3/t30?,35?,36-,37+/m0/s1.
What are the key properties of cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine?
cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 563.71 g/mol, XLogP of 8.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 129073733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).