cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine

C21H28NP — CID 158995956

IUPACcis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
SMILESCC[C@H]1CCCC[C@@H]1N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NP/c1-3-18-12-10-11-17-21(18)22(2)23(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-9,13-16,18,21H,3,10-12,17H2,1-2H3/t18-,21-/m0/s1
InChIKeyPKWCMQXTMRTJCI-RXVVDRJESA-N
MW325.44 g/mol
LogP4.93
Rot. Bonds5

About cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine

cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine (PubChem CID 158995956) has the molecular formula C21H28NP and a molecular weight of 325.44 g/mol. Its IUPAC name is cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
PubChem CID158995956
Molecular FormulaC21H28NP
Molecular Weight325.44 g/mol
Exact Mass325.20
IUPAC Namecis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
SMILESCC[C@H]1CCCC[C@@H]1N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NP/c1-3-18-12-10-11-17-21(18)22(2)23(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-9,13-16,18,21H,3,10-12,17H2,1-2H3/t18-,21-/m0/s1
InChIKeyPKWCMQXTMRTJCI-RXVVDRJESA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
CID 121308688
cis-(1R,2S)-2-(cyclohexylmethyl)-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 130394726
cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 129072832
2-N-(2-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63861614
2-(N-(2-ethylcyclohexyl)anilino)acetic acid
CID 63861803
3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine
CID 55251570
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
3-(N-(2-ethylcyclohexyl)anilino)propanethioamide
CID 63863592
cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
CID 129073733
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
CID 63863049
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine (CID 158995956) is cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine is CC[C@H]1CCCC[C@@H]1N(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is PKWCMQXTMRTJCI-RXVVDRJESA-N. The full InChI is InChI=1S/C21H28NP/c1-3-18-12-10-11-17-21(18)22(2)23(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-9,13-16,18,21H,3,10-12,17H2,1-2H3/t18-,21-/m0/s1.
What are the key properties of cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine?
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 325.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 158995956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).