1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide

C14H28N2O — CID 115441330

IUPAC1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O/c1-4-5-10-16(3)13(17)14(11-15)8-6-12(2)7-9-14/h12H,4-11,15H2,1-3H3
InChIKeyMEUCKIXCYQWDJG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds5

About 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide

1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide (PubChem CID 115441330) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
PubChem CID115441330
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H28N2O/c1-4-5-10-16(3)13(17)14(11-15)8-6-12(2)7-9-14/h12H,4-11,15H2,1-3H3
InChIKeyMEUCKIXCYQWDJG-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
[4-(Aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
N-(2-acetamidoethyl)-4,4-dimethylcyclohexane-1-carboxamide
CID 121571730
N-Ethyl-1-isopropylcyclohexanecarboxamide
CID 3016622
N-ethyl-1-(1-methylpropyl)cyclohexanecarboxamide
CID 3016624
1-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61829746
1-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61830082
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61830242
1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61830914
1-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61831310
1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 65533276
[1-(Aminomethyl)cyclohexyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65533287

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide (CID 115441330) is 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide is CCCCN(C)C(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is MEUCKIXCYQWDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-10-16(3)13(17)14(11-15)8-6-12(2)7-9-14/h12H,4-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).