cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine

C20H26NOP — CID 101016698

IUPACcis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine
SMILESC[C@H]1C[C@@]1(CCP(=O)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C20H26NOP/c1-17-16-20(17,21(2)3)14-15-23(22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3/t17-,20+/m0/s1
InChIKeyQHTYVQHMYVELNU-FXAWDEMLSA-N
MW327.41 g/mol
LogP3.73
Rot. Bonds6

About cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine

cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine (PubChem CID 101016698) has the molecular formula C20H26NOP and a molecular weight of 327.41 g/mol. Its IUPAC name is cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine
PubChem CID101016698
Molecular FormulaC20H26NOP
Molecular Weight327.41 g/mol
Exact Mass327.18
IUPAC Namecis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine
SMILESC[C@H]1C[C@@]1(CCP(=O)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C20H26NOP/c1-17-16-20(17,21(2)3)14-15-23(22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3/t17-,20+/m0/s1
InChIKeyQHTYVQHMYVELNU-FXAWDEMLSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine (CID 101016698) is cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine is C[C@H]1C[C@@]1(CCP(=O)(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine?
The InChIKey is QHTYVQHMYVELNU-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H26NOP/c1-17-16-20(17,21(2)3)14-15-23(22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine?
cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine has a molecular weight of 327.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(2-diphenylphosphorylethyl)-N,N,2-trimethylcyclopropan-1-amine is sourced from PubChem (CID 101016698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).