N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine

C22H33N — CID 177460694

IUPACN-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine
SMILESC=C1[C@H](CCN(C)Cc2ccccc2)C[C@H]1CC1CCCCC1
InChIInChI=1S/C22H33N/c1-18-21(16-22(18)15-19-9-5-3-6-10-19)13-14-23(2)17-20-11-7-4-8-12-20/h4,7-8,11-12,19,21-22H,1,3,5-6,9-10,13-17H2,2H3/t21-,22-/m1/s1
InChIKeyQBKHKKUGRFTPED-FGZHOGPDSA-N
MW311.51 g/mol
LogP5.67
Rot. Bonds7

About N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine

N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine (PubChem CID 177460694) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine
PubChem CID177460694
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC NameN-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine
SMILESC=C1[C@H](CCN(C)Cc2ccccc2)C[C@H]1CC1CCCCC1
InChIInChI=1S/C22H33N/c1-18-21(16-22(18)15-19-9-5-3-6-10-19)13-14-23(2)17-20-11-7-4-8-12-20/h4,7-8,11-12,19,21-22H,1,3,5-6,9-10,13-17H2,2H3/t21-,22-/m1/s1
InChIKeyQBKHKKUGRFTPED-FGZHOGPDSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine 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

N-benzyl-2-[(1S,3S)-3-[(4-bromophenyl)methyl]-2-methylidenecyclobutyl]-N-methylethanamine
CID 177414547
N-benzyl-2-[(1S,3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methylidenecyclobutyl]-N-methylethanamine
CID 177429733
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
CID 161280376
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585113
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 146199887
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
methyl 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-phenylbenzoate
CID 20699859

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine?
The IUPAC name of N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine (CID 177460694) is N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine.
What is the SMILES notation for N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine?
The canonical SMILES for N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine is C=C1[C@H](CCN(C)Cc2ccccc2)C[C@H]1CC1CCCCC1.
What is the InChIKey of N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine?
The InChIKey is QBKHKKUGRFTPED-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H33N/c1-18-21(16-22(18)15-19-9-5-3-6-10-19)13-14-23(2)17-20-11-7-4-8-12-20/h4,7-8,11-12,19,21-22H,1,3,5-6,9-10,13-17H2,2H3/t21-,22-/m1/s1.
What are the key properties of N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine?
N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine has a molecular weight of 311.51 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1S,3R)-3-(cyclohexylmethyl)-2-methylidenecyclobutyl]-N-methylethanamine is sourced from PubChem (CID 177460694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).