5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide

C13H25ClN2O — CID 83117115

IUPAC5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
SMILESCN(C)C1(CNC(=O)CCCCCl)CCCC1
InChIInChI=1S/C13H25ClN2O/c1-16(2)13(8-4-5-9-13)11-15-12(17)7-3-6-10-14/h3-11H2,1-2H3,(H,15,17)
InChIKeyMXYYHCBXTIAMAJ-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.39
Rot. Bonds7

About 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide

5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide (PubChem CID 83117115) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
PubChem CID83117115
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
SMILESCN(C)C1(CNC(=O)CCCCCl)CCCC1
InChIInChI=1S/C13H25ClN2O/c1-16(2)13(8-4-5-9-13)11-15-12(17)7-3-6-10-14/h3-11H2,1-2H3,(H,15,17)
InChIKeyMXYYHCBXTIAMAJ-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 103966027
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
CID 154913579
6-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylhexanamide
CID 83110420
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide?
The IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide (CID 83117115) is 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide is CN(C)C1(CNC(=O)CCCCCl)CCCC1.
What is the InChIKey of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide?
The InChIKey is MXYYHCBXTIAMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O/c1-16(2)13(8-4-5-9-13)11-15-12(17)7-3-6-10-14/h3-11H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide?
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide has a molecular weight of 260.81 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide is sourced from PubChem (CID 83117115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).