N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine

C12H24N2 — CID 79534182

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine
SMILESNCC1CCC(CNC2CCC2)CC1
InChIInChI=1S/C12H24N2/c13-8-10-4-6-11(7-5-10)9-14-12-2-1-3-12/h10-12,14H,1-9,13H2
InChIKeyXMXLOHYBZCLCOW-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.89
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine

N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine (PubChem CID 79534182) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine
PubChem CID79534182
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine
SMILESNCC1CCC(CNC2CCC2)CC1
InChIInChI=1S/C12H24N2/c13-8-10-4-6-11(7-5-10)9-14-12-2-1-3-12/h10-12,14H,1-9,13H2
InChIKeyXMXLOHYBZCLCOW-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine
CID 104963633
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine
CID 79532868
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-[(3,3-difluorocyclobutyl)methyl]cyclobutanamine
CID 130731920

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine (CID 79534182) is N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine is NCC1CCC(CNC2CCC2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine?
The InChIKey is XMXLOHYBZCLCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-8-10-4-6-11(7-5-10)9-14-12-2-1-3-12/h10-12,14H,1-9,13H2.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine?
N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine has a molecular weight of 196.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine is sourced from PubChem (CID 79534182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).