4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide

C13H26N2O — CID 60847602

IUPAC4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(C)C(=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O/c1-4-10(2)9-15(3)13(16)11-5-7-12(14)8-6-11/h10-12H,4-9,14H2,1-3H3
InChIKeyARRAXYRROOHNBN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

About 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide

4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 60847602) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
PubChem CID60847602
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(C)C(=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O/c1-4-10(2)9-15(3)13(16)11-5-7-12(14)8-6-11/h10-12H,4-9,14H2,1-3H3
InChIKeyARRAXYRROOHNBN-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79469783
4-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113264331
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
1-(4-aminocyclohexyl)-3-methylpentan-1-one
CID 116557256
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 60846900
4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide
CID 136582161
4-hydroxy-N-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 115150770
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
4-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 60846741
4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 63224530
2-amino-2-cyclopropyl-N-methyl-N-(2-methylbutyl)propanamide
CID 60867524

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide (CID 60847602) is 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide is CCC(C)CN(C)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is ARRAXYRROOHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10(2)9-15(3)13(16)11-5-7-12(14)8-6-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60847602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).