N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide

C14H28N2O — CID 79870432

IUPACN-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NC1CCCC1(C)C
InChIInChI=1S/C14H28N2O/c1-5-6-10-15-13(17)11(2)16-12-8-7-9-14(12,3)4/h11-12,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyHLAWYJKSLDYSMW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

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

N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide (PubChem CID 79870432) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide
PubChem CID79870432
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NC1CCCC1(C)C
InChIInChI=1S/C14H28N2O/c1-5-6-10-15-13(17)11(2)16-12-8-7-9-14(12,3)4/h11-12,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyHLAWYJKSLDYSMW-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
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

2-[(2,2-dimethylcyclopentyl)amino]-N-pentylpropanamide
CID 79861280
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 79861523
2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
CID 79870047
2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
CID 103256663
2-[(2,2-dimethylcyclopentyl)amino]-N-methyl-N-propan-2-ylpropanamide
CID 102562972
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
N-butyl-2-(oxan-3-ylamino)propanamide
CID 63363455
N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
CID 60664094
N-butyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propanamide
CID 54967296
2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
CID 79870022
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide?
The IUPAC name of N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide (CID 79870432) is N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide is CCCCNC(=O)C(C)NC1CCCC1(C)C.
What is the InChIKey of N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide?
The InChIKey is HLAWYJKSLDYSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-6-10-15-13(17)11(2)16-12-8-7-9-14(12,3)4/h11-12,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide?
N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide is sourced from PubChem (CID 79870432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).