N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide

C13H26N2O — CID 114545867

IUPACN-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide
SMILESCCCCNC(=O)CNC1CCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-14-12(16)10-15-11-6-7-13(2,3)9-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyNQPKOHLJMDZTQX-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds6

About N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide

N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide (PubChem CID 114545867) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide
PubChem CID114545867
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide
SMILESCCCCNC(=O)CNC1CCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-14-12(16)10-15-11-6-7-13(2,3)9-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyNQPKOHLJMDZTQX-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide
CID 83033491
2-[(3,3-dimethylcyclopentyl)amino]-N-propan-2-ylacetamide
CID 80692862
2-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-N-methylacetamide
CID 114448902
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
2-[(3,3-dimethylcyclopentyl)amino]-N-(oxan-4-yl)acetamide
CID 114546014
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide
CID 62359661
N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114545928
N-(2,6-difluorophenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114546012
N-cyclopropyl-2-[(4,4-dimethylcycloheptyl)amino]acetamide
CID 65084569

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
The IUPAC name of N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide (CID 114545867) is N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
The canonical SMILES for N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide is CCCCNC(=O)CNC1CCC(C)(C)C1.
What is the InChIKey of N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
The InChIKey is NQPKOHLJMDZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-8-14-12(16)10-15-11-6-7-13(2,3)9-11/h11,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide is sourced from PubChem (CID 114545867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).