(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine

C23H32NP — CID 59690756

IUPAC(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
SMILESCC1CCCC([C@H](C)N(C)C)C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NP/c1-18-12-11-17-22(19(2)24(3)4)23(18)25(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19,22-23H,11-12,17H2,1-4H3/t18?,19-,22?,23?/m0/s1
InChIKeyCOUOENAXMOWZNH-BVQNBUCBSA-N
MW353.49 g/mol
LogP4.87
Rot. Bonds5

About (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine

(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine (PubChem CID 59690756) has the molecular formula C23H32NP and a molecular weight of 353.49 g/mol. Its IUPAC name is (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
PubChem CID59690756
Molecular FormulaC23H32NP
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
SMILESCC1CCCC([C@H](C)N(C)C)C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NP/c1-18-12-11-17-22(19(2)24(3)4)23(18)25(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19,22-23H,11-12,17H2,1-4H3/t18?,19-,22?,23?/m0/s1
InChIKeyCOUOENAXMOWZNH-BVQNBUCBSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.87
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)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
CID 162295201
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
(1R)-1-[2-[chloro(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine
CID 58470969
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
CID 58921842
CID 58921842
carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene
CID 162295074
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
(1R)-N,N-dimethyl-1-[2-(2-phenylpropan-2-yl)cyclopentyl]ethanamine
CID 59843953
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine?
The IUPAC name of (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine (CID 59690756) is (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine.
What is the SMILES notation for (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine?
The canonical SMILES for (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine is CC1CCCC([C@H](C)N(C)C)C1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine?
The InChIKey is COUOENAXMOWZNH-BVQNBUCBSA-N. The full InChI is InChI=1S/C23H32NP/c1-18-12-11-17-22(19(2)24(3)4)23(18)25(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19,22-23H,11-12,17H2,1-4H3/t18?,19-,22?,23?/m0/s1.
What are the key properties of (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine?
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine has a molecular weight of 353.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine is sourced from PubChem (CID 59690756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).