N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine

C14H30N2 — CID 79533480

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(CC1CCC(CN)CC1)CC(C)(C)C
InChIInChI=1S/C14H30N2/c1-14(2,3)11-16(4)10-13-7-5-12(9-15)6-8-13/h12-13H,5-11,15H2,1-4H3
InChIKeyJVJXCZLSJVDAJU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.73
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 79533480) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
PubChem CID79533480
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(CC1CCC(CN)CC1)CC(C)(C)C
InChIInChI=1S/C14H30N2/c1-14(2,3)11-16(4)10-13-7-5-12(9-15)6-8-13/h12-13H,5-11,15H2,1-4H3
InChIKeyJVJXCZLSJVDAJU-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008220
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylethanamine
CID 79526773
1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267342
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
CID 107473176
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 60892926
1-amino-3-[cyclohexylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 64819127
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine (CID 79533480) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine is CN(CC1CCC(CN)CC1)CC(C)(C)C.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is JVJXCZLSJVDAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)11-16(4)10-13-7-5-12(9-15)6-8-13/h12-13H,5-11,15H2,1-4H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79533480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).