2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine

C19H30N2 — CID 62860228

IUPAC2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine
SMILESCNC1CCC(c2ccccc2)CC1N(C)CC1CCC1
InChIInChI=1S/C19H30N2/c1-20-18-12-11-17(16-9-4-3-5-10-16)13-19(18)21(2)14-15-7-6-8-15/h3-5,9-10,15,17-20H,6-8,11-14H2,1-2H3
InChIKeyWRIMXIDGRWWOOM-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.64
Rot. Bonds5

About 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine

2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine (PubChem CID 62860228) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine
PubChem CID62860228
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine
SMILESCNC1CCC(c2ccccc2)CC1N(C)CC1CCC1
InChIInChI=1S/C19H30N2/c1-20-18-12-11-17(16-9-4-3-5-10-16)13-19(18)21(2)14-15-7-6-8-15/h3-5,9-10,15,17-20H,6-8,11-14H2,1-2H3
InChIKeyWRIMXIDGRWWOOM-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine 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-(cyclopentylmethylsulfanyl)-N-methyl-4-phenylcyclohexan-1-amine
CID 64626186
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine
CID 162654109
1-N,2-N,4-trimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65487409
[3-(bromomethyl)cyclohexyl]benzene
CID 174846127
3-[2-(methylamino)-5-phenylcyclohexyl]sulfanylpropan-1-ol
CID 66127505
4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 63233434
N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
CID 63482857
N,N-dimethyl-3-phenylcyclohexan-1-amine;methanamine
CID 142330128
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine (CID 62860228) is 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine is CNC1CCC(c2ccccc2)CC1N(C)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine?
The InChIKey is WRIMXIDGRWWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-20-18-12-11-17(16-9-4-3-5-10-16)13-19(18)21(2)14-15-7-6-8-15/h3-5,9-10,15,17-20H,6-8,11-14H2,1-2H3.
What are the key properties of 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine?
2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine has a molecular weight of 286.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-1-N,2-N-dimethyl-4-phenylcyclohexane-1,2-diamine is sourced from PubChem (CID 62860228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).