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

C14H30N2 — CID 103462171

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC1CCCCC1CN
InChIInChI=1S/C14H30N2/c1-4-14(2,3)11-16-10-13-8-6-5-7-12(13)9-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyFYXNTHILOFNSJS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.78
Rot. Bonds6

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

N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine (PubChem CID 103462171) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine
PubChem CID103462171
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC1CCCCC1CN
InChIInChI=1S/C14H30N2/c1-4-14(2,3)11-16-10-13-8-6-5-7-12(13)9-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyFYXNTHILOFNSJS-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine
CID 103462274
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylpropan-1-ol
CID 81410855
2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
[2-[[(5-ethylthiophen-2-yl)methylamino]methyl]cyclohexyl]methanamine
CID 106012069
2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol
CID 114493206
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethylhexan-1-amine
CID 114004229
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
CID 103461370
N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine (CID 103462171) is N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCC1CCCCC1CN.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is FYXNTHILOFNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-14(2,3)11-16-10-13-8-6-5-7-12(13)9-15/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine?
N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103462171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).