2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide

C12H26ClN3O — CID 60809657

IUPAC2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)CCl
InChIInChI=1S/C12H26ClN3O/c1-14(2)7-5-9-16(12(17)11-13)10-6-8-15(3)4/h5-11H2,1-4H3
InChIKeyYRIAYKDAJYKMDW-UHFFFAOYSA-N
MW263.81 g/mol
LogP0.96
Rot. Bonds9

About 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide

2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide (PubChem CID 60809657) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
PubChem CID60809657
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)CCl
InChIInChI=1S/C12H26ClN3O/c1-14(2)7-5-9-16(12(17)11-13)10-6-8-15(3)4/h5-11H2,1-4H3
InChIKeyYRIAYKDAJYKMDW-UHFFFAOYSA-N
XLogP0.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 132888355
2-chloro-N,N-di(nonyl)acetamide
CID 533173
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242
N',N'-bis[3-(dimethylamino)propyl]pentanediamide
CID 141463715
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
N',N'-bis[4-(dimethylamino)butyl]propanediamide
CID 172710521
2-chloro-N,N-bis[(Z)-octadec-9-enyl]acetamide
CID 162712758
N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
2-chloroacetic acid;N,N-dimethyldodecan-1-amine
CID 71300539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide (CID 60809657) is 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide is CN(C)CCCN(CCCN(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide?
The InChIKey is YRIAYKDAJYKMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN3O/c1-14(2)7-5-9-16(12(17)11-13)10-6-8-15(3)4/h5-11H2,1-4H3.
What are the key properties of 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide?
2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide has a molecular weight of 263.81 g/mol, XLogP of 0.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 60809657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).