2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C13H28N2 — CID 62708303

IUPAC2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN(C)C
InChIInChI=1S/C13H28N2/c1-10(2)11-6-7-13(14-3)12(8-11)9-15(4)5/h10-14H,6-9H2,1-5H3
InChIKeyYIYJXQDNHFRVPY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.21
Rot. Bonds4

About 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62708303) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID62708303
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN(C)C
InChIInChI=1S/C13H28N2/c1-10(2)11-6-7-13(14-3)12(8-11)9-15(4)5/h10-14H,6-9H2,1-5H3
InChIKeyYIYJXQDNHFRVPY-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-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,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
CID 63698976
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63965864
2-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704719
2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63957118
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79858757
2-[cyclopropyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62708874
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 107401543
N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63495395
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366
2-[cyclopentyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62704902

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 62708303) is 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is YIYJXQDNHFRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)11-6-7-13(14-3)12(8-11)9-15(4)5/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62708303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).