(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine

C21H40NP — CID 140666053

IUPAC(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine
SMILESCC1CCC([C@@H](C)N(C)C)C1P(C1CCCCC1)C1CCCC1
InChIInChI=1S/C21H40NP/c1-16-14-15-20(17(2)22(3)4)21(16)23(19-12-8-9-13-19)18-10-6-5-7-11-18/h16-21H,5-15H2,1-4H3/t16?,17-,20?,21?,23?/m1/s1
InChIKeyCIAJJOTTYJVTEO-OYECOOIQSA-N
MW337.53 g/mol
LogP6.11
Rot. Bonds5

About (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine

(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine (PubChem CID 140666053) has the molecular formula C21H40NP and a molecular weight of 337.53 g/mol. Its IUPAC name is (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine
PubChem CID140666053
Molecular FormulaC21H40NP
Molecular Weight337.53 g/mol
Exact Mass337.29
IUPAC Name(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine
SMILESCC1CCC([C@@H](C)N(C)C)C1P(C1CCCCC1)C1CCCC1
InChIInChI=1S/C21H40NP/c1-16-14-15-20(17(2)22(3)4)21(16)23(19-12-8-9-13-19)18-10-6-5-7-11-18/h16-21H,5-15H2,1-4H3/t16?,17-,20?,21?,23?/m1/s1
InChIKeyCIAJJOTTYJVTEO-OYECOOIQSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.53
LogP ≤ 56.11
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)-N,N-dimethyl-1-(3-methyl-2-phosphanylcyclopentyl)ethanamine
CID 123849739
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
CID 59690756
tri(cyclooctyl)phosphane
CID 12970661
tri(cyclododecyl)phosphane
CID 19065577
(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
CID 162295201
carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
CID 137319736
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde
CID 87395874
bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250
gold(1+);tricyclohexylphosphane
CID 161082953
CID 11297590
CID 11297590
silane;tricyclohexylphosphane
CID 158384701

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine (CID 140666053) is (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine is CC1CCC([C@@H](C)N(C)C)C1P(C1CCCCC1)C1CCCC1.
What is the InChIKey of (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine?
The InChIKey is CIAJJOTTYJVTEO-OYECOOIQSA-N. The full InChI is InChI=1S/C21H40NP/c1-16-14-15-20(17(2)22(3)4)21(16)23(19-12-8-9-13-19)18-10-6-5-7-11-18/h16-21H,5-15H2,1-4H3/t16?,17-,20?,21?,23?/m1/s1.
What are the key properties of (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine?
(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine has a molecular weight of 337.53 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine is sourced from PubChem (CID 140666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).