2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide

C13H26N2O2 — CID 64603511

IUPAC2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)NC(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-10(6-7-17-2)15-13(16)9-11-4-3-5-12(14)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyKDEUIQUSTKIWIX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide

2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide (PubChem CID 64603511) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
PubChem CID64603511
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)NC(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-10(6-7-17-2)15-13(16)9-11-4-3-5-12(14)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyKDEUIQUSTKIWIX-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide 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-(4-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603111
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
2-[4-(aminomethyl)cyclohexyl]-N-(4-methoxybutan-2-yl)acetamide
CID 64604127
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(cyclopropylmethylamino)-N-(4-methoxybutan-2-yl)acetamide
CID 64606071
1-(3-aminocyclohexyl)-4-methoxy-2-methylbutan-1-one
CID 116568865
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 62782922
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 64603308
2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
CID 83146431
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide (CID 64603511) is 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide is COCCC(C)NC(=O)CC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide?
The InChIKey is KDEUIQUSTKIWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(6-7-17-2)15-13(16)9-11-4-3-5-12(14)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide?
2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 64603511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).