(1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

C43H47NP2 — CID 166830176

IUPAC(1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)C1CCC(C2CCCC2)[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H47NP2/c1-44(2)42(39-29-17-18-30-41(39)45(34-21-7-3-8-22-34)35-23-9-4-10-24-35)40-32-31-38(33-19-15-16-20-33)43(40)46(36-25-11-5-12-26-36)37-27-13-6-14-28-37/h3-14,17-18,21-30,33,38,40,42-43H,15-16,19-20,31-32H2,1-2H3/t38?,40?,42-,43-/m0/s1
InChIKeyNOKBYTWYHLWLOA-GJZPZAAZSA-N
MW639.80 g/mol
LogP8.77
Rot. Bonds10

About (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

(1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (PubChem CID 166830176) has the molecular formula C43H47NP2 and a molecular weight of 639.80 g/mol. Its IUPAC name is (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
PubChem CID166830176
Molecular FormulaC43H47NP2
Molecular Weight639.80 g/mol
Exact Mass639.32
IUPAC Name(1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)C1CCC(C2CCCC2)[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H47NP2/c1-44(2)42(39-29-17-18-30-41(39)45(34-21-7-3-8-22-34)35-23-9-4-10-24-35)40-32-31-38(33-19-15-16-20-33)43(40)46(36-25-11-5-12-26-36)37-27-13-6-14-28-37/h3-14,17-18,21-30,33,38,40,42-43H,15-16,19-20,31-32H2,1-2H3/t38?,40?,42-,43-/m0/s1
InChIKeyNOKBYTWYHLWLOA-GJZPZAAZSA-N
XLogP8.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
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

(1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-N,N-dimethylmethanamine
CID 58160434
(R)-cyclopentyl-(2-diphenylphosphanylphenyl)methanol
CID 58606850
(S)-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methanol;tris(cyclopentane);bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine);(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;(R)-(2-diphenylphosphanylphenyl)-(2-methylcyclopentyl)methanol;iron
CID 162302535
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
CID 162295201
[2-[[(1S)-2-diphenylphosphanylcyclopentyl]-pyrrolidin-1-ylmethyl]phenyl]-diphenylphosphane
CID 59941440
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
CID 59690756
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
CID 137319737
cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron
CID 131730615
trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine
CID 11737219
CID 58921864
CID 58921864
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (CID 166830176) is (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is CN(C)[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)C1CCC(C2CCCC2)[C@@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The InChIKey is NOKBYTWYHLWLOA-GJZPZAAZSA-N. The full InChI is InChI=1S/C43H47NP2/c1-44(2)42(39-29-17-18-30-41(39)45(34-21-7-3-8-22-34)35-23-9-4-10-24-35)40-32-31-38(33-19-15-16-20-33)43(40)46(36-25-11-5-12-26-36)37-27-13-6-14-28-37/h3-14,17-18,21-30,33,38,40,42-43H,15-16,19-20,31-32H2,1-2H3/t38?,40?,42-,43-/m0/s1.
What are the key properties of (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
(1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine has a molecular weight of 639.80 g/mol, XLogP of 8.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-3-cyclopentyl-2-diphenylphosphanylcyclopentyl]-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 166830176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).