1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide

C14H28N2O2 — CID 119341486

IUPAC1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1(N)CCCCC1)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(18-4)10-16-12(17)14(15)8-6-5-7-9-14/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyBIEAEBXVYDNJOQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds4

About 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide

1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide (PubChem CID 119341486) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
PubChem CID119341486
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1(N)CCCCC1)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)11(18-4)10-16-12(17)14(15)8-6-5-7-9-14/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyBIEAEBXVYDNJOQ-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide
CID 81173235
2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475563
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 11194684
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
1-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334765
1-amino-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119278900
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830623

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide (CID 119341486) is 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide is COC(CNC(=O)C1(N)CCCCC1)C(C)(C)C.
What is the InChIKey of 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide?
The InChIKey is BIEAEBXVYDNJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)11(18-4)10-16-12(17)14(15)8-6-5-7-9-14/h11H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide?
1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119341486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).