N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide

C13H26N2O — CID 107412540

IUPACN-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide
SMILESCCCCNC(=O)CNCC1CCC(C)C1
InChIInChI=1S/C13H26N2O/c1-3-4-7-15-13(16)10-14-9-12-6-5-11(2)8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyKLWWLXUQANLVSO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds7

About N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide

N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide (PubChem CID 107412540) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide
PubChem CID107412540
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide
SMILESCCCCNC(=O)CNCC1CCC(C)C1
InChIInChI=1S/C13H26N2O/c1-3-4-7-15-13(16)10-14-9-12-6-5-11(2)8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyKLWWLXUQANLVSO-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-[(3-methylcyclopentyl)methylamino]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

N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
N-pentyl-2-(pentylamino)acetamide
CID 109005932
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-cyclopropyl-N-pentylacetamide
CID 66755217
2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide
CID 119763131
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide?
The IUPAC name of N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide (CID 107412540) is N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide?
The canonical SMILES for N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide is CCCCNC(=O)CNCC1CCC(C)C1.
What is the InChIKey of N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide?
The InChIKey is KLWWLXUQANLVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-7-15-13(16)10-14-9-12-6-5-11(2)8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide?
N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide is sourced from PubChem (CID 107412540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).