3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide

C14H28N2O2 — CID 65053094

IUPAC3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
SMILESCOCC(NC(=O)C1CCCC(N)C1C)C(C)C
InChIInChI=1S/C14H28N2O2/c1-9(2)13(8-18-4)16-14(17)11-6-5-7-12(15)10(11)3/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyWLTKPKSDECYLLU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide

3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide (PubChem CID 65053094) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
PubChem CID65053094
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
SMILESCOCC(NC(=O)C1CCCC(N)C1C)C(C)C
InChIInChI=1S/C14H28N2O2/c1-9(2)13(8-18-4)16-14(17)11-6-5-7-12(15)10(11)3/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyWLTKPKSDECYLLU-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-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

2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
2-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783421
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
CID 65049268
methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
CID 119695162
2-amino-N-(1-methoxypentan-2-yl)cyclopentane-1-carboxamide
CID 64850676
2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 64603719
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65053308
2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 113407184
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide (CID 65053094) is 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide is COCC(NC(=O)C1CCCC(N)C1C)C(C)C.
What is the InChIKey of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide?
The InChIKey is WLTKPKSDECYLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9(2)13(8-18-4)16-14(17)11-6-5-7-12(15)10(11)3/h9-13H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide?
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 65053094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).