2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C17H37N3 — CID 103191408

IUPAC2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1C(C)CC(C)CC1NC)C(C)CN(C)C
InChIInChI=1S/C17H37N3/c1-8-20(15(4)11-19(6)7)12-16-14(3)9-13(2)10-17(16)18-5/h13-18H,8-12H2,1-7H3
InChIKeyXQYQXXVYIMMUSU-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.53
Rot. Bonds7

About 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191408) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191408
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1C(C)CC(C)CC1NC)C(C)CN(C)C
InChIInChI=1S/C17H37N3/c1-8-20(15(4)11-19(6)7)12-16-14(3)9-13(2)10-17(16)18-5/h13-18H,8-12H2,1-7H3
InChIKeyXQYQXXVYIMMUSU-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-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

N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64736237
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191271
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline
CID 64735056
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737435
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734671
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737227
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751735

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191408) is 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC1C(C)CC(C)CC1NC)C(C)CN(C)C.
What is the InChIKey of 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is XQYQXXVYIMMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-8-20(15(4)11-19(6)7)12-16-14(3)9-13(2)10-17(16)18-5/h13-18H,8-12H2,1-7H3.
What are the key properties of 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).