3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide

C9H19ClN2O — CID 62729377

IUPAC3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCCCN(C)C
InChIInChI=1S/C9H19ClN2O/c1-8(7-10)9(13)11-5-4-6-12(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyDGUKKLZSTYJKPW-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.93
Rot. Bonds6

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

3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide (PubChem CID 62729377) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
PubChem CID62729377
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCCCN(C)C
InChIInChI=1S/C9H19ClN2O/c1-8(7-10)9(13)11-5-4-6-12(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyDGUKKLZSTYJKPW-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.93
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

N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
2,2-dimethylpropyl 7-[3-(dimethylamino)propylamino]-2-ethyl-6-methyl-7-oxoheptanoate
CID 118200596
3-chloro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
CID 62726649
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
CID 130379782
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide
CID 91693980
1-[3-(dimethylamino)propyl]-3-prop-2-ynylurea
CID 129322553
3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 19570403
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide (CID 62729377) is 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide is CC(CCl)C(=O)NCCCN(C)C.
What is the InChIKey of 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The InChIKey is DGUKKLZSTYJKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O/c1-8(7-10)9(13)11-5-4-6-12(2)3/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide has a molecular weight of 206.72 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 62729377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).