(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane

C34H59N2P2+ — CID 91444894

IUPAC(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane
SMILESCP(C)c1ccccc1.C[C@H](C1CCCC1)N(C)C.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C17H29NP.C9H19N.C8H11P/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15;1-8(10(2)3)9-6-4-5-7-9;1-9(2)8-6-4-3-5-7-8/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3;8-9H,4-7H2,1-3H3;3-7H,1-2H3/q+1;;/t14-,16?,17?;8-;/m11./s1
InChIKeyPEJYCRCRROITEW-LCBKHANSSA-N
MW557.81 g/mol
LogP7.89
Rot. Bonds7

About (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane

(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane (PubChem CID 91444894) has the molecular formula C34H59N2P2+ and a molecular weight of 557.81 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane
PubChem CID91444894
Molecular FormulaC34H59N2P2+
Molecular Weight557.81 g/mol
Exact Mass557.41
IUPAC Name(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane
SMILESCP(C)c1ccccc1.C[C@H](C1CCCC1)N(C)C.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C17H29NP.C9H19N.C8H11P/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15;1-8(10(2)3)9-6-4-5-7-9;1-9(2)8-6-4-3-5-7-8/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3;8-9H,4-7H2,1-3H3;3-7H,1-2H3/q+1;;/t14-,16?,17?;8-;/m11./s1
InChIKeyPEJYCRCRROITEW-LCBKHANSSA-N
XLogP7.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.81
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane?
The IUPAC name of (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane (CID 91444894) is (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane.
What is the SMILES notation for (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane?
The canonical SMILES for (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane is CP(C)c1ccccc1.C[C@H](C1CCCC1)N(C)C.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)N(C)C.
What is the InChIKey of (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane?
The InChIKey is PEJYCRCRROITEW-LCBKHANSSA-N. The full InChI is InChI=1S/C17H29NP.C9H19N.C8H11P/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15;1-8(10(2)3)9-6-4-5-7-9;1-9(2)8-6-4-3-5-7-8/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3;8-9H,4-7H2,1-3H3;3-7H,1-2H3/q+1;;/t14-,16?,17?;8-;/m11./s1.
What are the key properties of (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane?
(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane has a molecular weight of 557.81 g/mol, XLogP of 7.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane is sourced from PubChem (CID 91444894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).