4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide

C12H24N2O — CID 62806413

IUPAC4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C12H24N2O/c1-3-8-14(2)12(15)11-6-4-10(9-13)5-7-11/h10-11H,3-9,13H2,1-2H3
InChIKeyQMIMIRAKEXIOOP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide

4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide (PubChem CID 62806413) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
PubChem CID62806413
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C12H24N2O/c1-3-8-14(2)12(15)11-6-4-10(9-13)5-7-11/h10-11H,3-9,13H2,1-2H3
InChIKeyQMIMIRAKEXIOOP-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylcyclohexane-1-carboxamide
CID 114243092
4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62808378
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 62808188
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102992877
1-amino-4-[methyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115151379
4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79313305
4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115151057
N-methyl-N-propyloxetane-3-carboxamide
CID 131224079
4-(aminomethyl)-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511292
4-(aminomethyl)-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62808177

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide (CID 62806413) is 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide is CCCN(C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is QMIMIRAKEXIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-8-14(2)12(15)11-6-4-10(9-13)5-7-11/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 62806413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).