(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine

C22H38NP — CID 162411834

IUPAC(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
SMILESCC[C@@H](C1C=CC=C1P(C1CCCCC1)C1CCCCC1)N(C)C
InChIInChI=1S/C22H38NP/c1-4-21(23(2)3)20-16-11-17-22(20)24(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h11,16-21H,4-10,12-15H2,1-3H3/t20?,21-/m0/s1
InChIKeyMKIAUWBJGZVXPJ-LBAQZLPGSA-N
MW347.53 g/mol
LogP6.54
Rot. Bonds6

About (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine

(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 162411834) has the molecular formula C22H38NP and a molecular weight of 347.53 g/mol. Its IUPAC name is (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID162411834
Molecular FormulaC22H38NP
Molecular Weight347.53 g/mol
Exact Mass347.27
IUPAC Name(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
SMILESCC[C@@H](C1C=CC=C1P(C1CCCCC1)C1CCCCC1)N(C)C
InChIInChI=1S/C22H38NP/c1-4-21(23(2)3)20-16-11-17-22(20)24(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h11,16-21H,4-10,12-15H2,1-3H3/t20?,21-/m0/s1
InChIKeyMKIAUWBJGZVXPJ-LBAQZLPGSA-N
XLogP6.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane
CID 176536164
di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane
CID 90109862
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 89256715
2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde
CID 87395874
N,N-dimethyl-1-piperidin-2-ylpropan-1-amine
CID 116906464
dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)
CID 71317458
dicyclopentyl-(2,5-dibutyl-4-dicyclopentylphosphanylthiophen-3-yl)phosphane
CID 170552426
dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 70820745
(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 102187363
dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane
CID 170552424

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine (CID 162411834) is (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine is CC[C@@H](C1C=CC=C1P(C1CCCCC1)C1CCCCC1)N(C)C.
What is the InChIKey of (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is MKIAUWBJGZVXPJ-LBAQZLPGSA-N. The full InChI is InChI=1S/C22H38NP/c1-4-21(23(2)3)20-16-11-17-22(20)24(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h11,16-21H,4-10,12-15H2,1-3H3/t20?,21-/m0/s1.
What are the key properties of (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine?
(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 347.53 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 162411834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).