1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine

C13H28N2 — CID 63960268

IUPAC1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCC(C)(C)N(C)CC1(N)CCCCC1
InChIInChI=1S/C13H28N2/c1-5-12(2,3)15(4)11-13(14)9-7-6-8-10-13/h5-11,14H2,1-4H3
InChIKeyYWJYWGULMAEQAY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds4

About 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine

1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 63960268) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID63960268
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCC(C)(C)N(C)CC1(N)CCCCC1
InChIInChI=1S/C13H28N2/c1-5-12(2,3)15(4)11-13(14)9-7-6-8-10-13/h5-11,14H2,1-4H3
InChIKeyYWJYWGULMAEQAY-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-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

1-[[tert-butyl(methyl)amino]methyl]cyclohexan-1-amine
CID 130979178
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
CID 65007549
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
1-[[methyl(propyl)amino]methyl]cyclopentan-1-amine
CID 60854443
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
CID 63957661
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine
CID 63964071
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
CID 81169937
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601
N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994452
1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol
CID 115773243
1-(2-methylbutan-2-yl)cycloheptan-1-amine
CID 90700569

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine (CID 63960268) is 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine is CCC(C)(C)N(C)CC1(N)CCCCC1.
What is the InChIKey of 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is YWJYWGULMAEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-12(2,3)15(4)11-13(14)9-7-6-8-10-13/h5-11,14H2,1-4H3.
What are the key properties of 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine?
1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63960268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).