3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

C13H25ClN2O — CID 62726840

IUPAC3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C13H25ClN2O/c1-11(10-14)13(17)16(9-8-15(2)3)12-6-4-5-7-12/h11-12H,4-10H2,1-3H3
InChIKeyPLBNFGGREPQLGA-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.19
Rot. Bonds6

About 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide

3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (PubChem CID 62726840) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
PubChem CID62726840
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C13H25ClN2O/c1-11(10-14)13(17)16(9-8-15(2)3)12-6-4-5-7-12/h11-12H,4-10H2,1-3H3
InChIKeyPLBNFGGREPQLGA-UHFFFAOYSA-N
XLogP2.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 62728154
(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide
CID 79024466
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
CID 62729219
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]hexanamide
CID 54873886
2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
CID 54873874
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797
2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 114014439
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62727218
N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide
CID 102872769
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897698
N-(3-aminopropyl)-N-cyclohexyl-2-methylbutanamide
CID 43136859
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79205212

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide (CID 62726840) is 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is CC(CCl)C(=O)N(CCN(C)C)C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
The InChIKey is PLBNFGGREPQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O/c1-11(10-14)13(17)16(9-8-15(2)3)12-6-4-5-7-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide?
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide has a molecular weight of 260.81 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62726840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).