1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine

C32H35NP2 — CID 171935004

IUPAC1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
SMILESCC(CC1CCCC1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NP2/c1-27(26-28-16-14-15-17-28)33(34(29-18-6-2-7-19-29)30-20-8-3-9-21-30)35(31-22-10-4-11-23-31)32-24-12-5-13-25-32/h2-13,18-25,27-28H,14-17,26H2,1H3
InChIKeyQNZRDMDDRPJNRR-UHFFFAOYSA-N
MW495.59 g/mol
LogP7.35
Rot. Bonds9

About 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine

1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine (PubChem CID 171935004) has the molecular formula C32H35NP2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
PubChem CID171935004
Molecular FormulaC32H35NP2
Molecular Weight495.59 g/mol
Exact Mass495.22
IUPAC Name1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
SMILESCC(CC1CCCC1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NP2/c1-27(26-28-16-14-15-17-28)33(34(29-18-6-2-7-19-29)30-20-8-3-9-21-30)35(31-22-10-4-11-23-31)32-24-12-5-13-25-32/h2-13,18-25,27-28H,14-17,26H2,1H3
InChIKeyQNZRDMDDRPJNRR-UHFFFAOYSA-N
XLogP7.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.59
LogP ≤ 57.35
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

[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
CID 134976469
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
1-cyclohexylpentan-2-ylbenzene
CID 139744385
N-diphenylphosphanyl-N-[[ethyl(methyl)amino]-phenylphosphanyl]propan-2-amine
CID 121401614
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897
bis[(1S)-1-cyclopentylethyl]-phenylphosphane
CID 59045088
2-cyclopentyl-1-phenylethanol
CID 15629098
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
2-cycloheptyl-1-phenylethanamine
CID 21261900

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine?
The IUPAC name of 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine (CID 171935004) is 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine?
The canonical SMILES for 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine is CC(CC1CCCC1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine?
The InChIKey is QNZRDMDDRPJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NP2/c1-27(26-28-16-14-15-17-28)33(34(29-18-6-2-7-19-29)30-20-8-3-9-21-30)35(31-22-10-4-11-23-31)32-24-12-5-13-25-32/h2-13,18-25,27-28H,14-17,26H2,1H3.
What are the key properties of 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine?
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine has a molecular weight of 495.59 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine is sourced from PubChem (CID 171935004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).