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

C12H24N2 — CID 79532868

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCC1CCC(CN)CC1
InChIInChI=1S/C12H24N2/c1-9-6-12(9)14-8-11-4-2-10(7-13)3-5-11/h9-12,14H,2-8,13H2,1H3
InChIKeyUBNBHCSYVSRZGH-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.75
Rot. Bonds4

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

N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine (PubChem CID 79532868) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine
PubChem CID79532868
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCC1CCC(CN)CC1
InChIInChI=1S/C12H24N2/c1-9-6-12(9)14-8-11-4-2-10(7-13)3-5-11/h9-12,14H,2-8,13H2,1H3
InChIKeyUBNBHCSYVSRZGH-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine
CID 130624100
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine
CID 104963633
N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine
CID 79534182
N-(cyclopropylmethyl)-1,4-dimethylpyrrolidin-3-amine
CID 131041729
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
N-(cyclopropylmethyl)-4,5-dimethyloxolan-3-amine
CID 164656653
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 59867972
4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 106127277
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 64762697
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine (CID 79532868) is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine is CC1CC1NCC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine?
The InChIKey is UBNBHCSYVSRZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-6-12(9)14-8-11-4-2-10(7-13)3-5-11/h9-12,14H,2-8,13H2,1H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylcyclopropan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.75, 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]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 79532868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).