trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine

C30H32N2P2 — CID 87643096

IUPACtrans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine
SMILESc1ccc(P(N[C@H]2CCCC[C@@H]2NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2P2/c1-5-15-25(16-6-1)33(26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-34(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-32H,13-14,23-24H2/t29-,30-/m0/s1
InChIKeyCVIZLIDGRKELOD-KYJUHHDHSA-N
MW482.55 g/mol
LogP5.57
Rot. Bonds8

About trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine

trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine (PubChem CID 87643096) has the molecular formula C30H32N2P2 and a molecular weight of 482.55 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine
PubChem CID87643096
Molecular FormulaC30H32N2P2
Molecular Weight482.55 g/mol
Exact Mass482.20
IUPAC Nametrans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine
SMILESc1ccc(P(N[C@H]2CCCC[C@@H]2NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2P2/c1-5-15-25(16-6-1)33(26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-34(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-32H,13-14,23-24H2/t29-,30-/m0/s1
InChIKeyCVIZLIDGRKELOD-KYJUHHDHSA-N
XLogP5.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.57
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

trans-(1R,2R)-N-diphenylphosphanyl-2-(5-phenyl-3-propan-2-ylimidazol-3-ium-1-yl)cyclohexan-1-amine
CID 11678365
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
CID 132513866
cyclononyl(diphenyl)phosphane
CID 70908257
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol
CID 4270592
(1R)-2-N-(2-diphenylphosphanylethyl)cyclohexane-1,2-diamine
CID 155417637
(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71608542
CID 89375830
CID 89375830

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine (CID 87643096) is trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine is c1ccc(P(N[C@H]2CCCC[C@@H]2NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine?
The InChIKey is CVIZLIDGRKELOD-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H32N2P2/c1-5-15-25(16-6-1)33(26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-34(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-32H,13-14,23-24H2/t29-,30-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine?
trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine has a molecular weight of 482.55 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 87643096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).