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

C13H26N2O — CID 43295917

IUPAC1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(C)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)10-15(3)12(16)13(14)8-6-5-7-9-13/h11H,4-10,14H2,1-3H3
InChIKeyRQNVTZRJZIJAKC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds4

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

1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 43295917) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
PubChem CID43295917
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(C)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)10-15(3)12(16)13(14)8-6-5-7-9-13/h11H,4-10,14H2,1-3H3
InChIKeyRQNVTZRJZIJAKC-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119303454
1-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 106915391
2-ethyl-N-methyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 83079995
4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
CID 115293667
1-amino-N-(cyclopropylmethyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119297257
1-amino-N-butan-2-yl-N-ethylcyclobutane-1-carboxamide
CID 81178764
1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 82945894
1-amino-N-(3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 63008768
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 55000242
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 54873665
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide (CID 43295917) is 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide is CCC(C)CN(C)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is RQNVTZRJZIJAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(2)10-15(3)12(16)13(14)8-6-5-7-9-13/h11H,4-10,14H2,1-3H3.
What are the key properties of 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43295917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).