2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine

C19H40N2 — CID 107871148

IUPAC2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H40N2/c1-6-20-19-10-8-7-9-18(19)15-21(13-11-16(2)3)14-12-17(4)5/h16-20H,6-15H2,1-5H3
InChIKeyAZHQDYAYVXLYLW-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds10

About 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine

2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine (PubChem CID 107871148) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine
PubChem CID107871148
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H40N2/c1-6-20-19-10-8-7-9-18(19)15-21(13-11-16(2)3)14-12-17(4)5/h16-20H,6-15H2,1-5H3
InChIKeyAZHQDYAYVXLYLW-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-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

N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611047
N'-[[2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55094563
N-ethyl-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclohexan-1-amine
CID 62614429
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107401671
N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 112664985
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
2-[[ethyl(2-methylpropyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62614308
3-[[2-(ethylamino)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62610037
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 62610305

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine (CID 107871148) is 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1CN(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine?
The InChIKey is AZHQDYAYVXLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-20-19-10-8-7-9-18(19)15-21(13-11-16(2)3)14-12-17(4)5/h16-20H,6-15H2,1-5H3.
What are the key properties of 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine?
2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-methylbutyl)amino]methyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 107871148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).