3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide

C10H19ClN2O — CID 105415955

IUPAC3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCCl)CCC1
InChIInChI=1S/C10H19ClN2O/c1-13(2)10(5-3-6-10)8-12-9(14)4-7-11/h3-8H2,1-2H3,(H,12,14)
InChIKeyITSUJOJAVNYHKS-UHFFFAOYSA-N
MW218.73 g/mol
LogP1.22
Rot. Bonds5

About 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide

3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide (PubChem CID 105415955) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
PubChem CID105415955
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCCl)CCC1
InChIInChI=1S/C10H19ClN2O/c1-13(2)10(5-3-6-10)8-12-9(14)4-7-11/h3-8H2,1-2H3,(H,12,14)
InChIKeyITSUJOJAVNYHKS-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
6-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylhexanamide
CID 83110420
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105413331
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
CID 154913579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
The IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide (CID 105415955) is 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
The canonical SMILES for 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide is CN(C)C1(CNC(=O)CCCl)CCC1.
What is the InChIKey of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
The InChIKey is ITSUJOJAVNYHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O/c1-13(2)10(5-3-6-10)8-12-9(14)4-7-11/h3-8H2,1-2H3,(H,12,14).
What are the key properties of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide has a molecular weight of 218.73 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide is sourced from PubChem (CID 105415955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).