N-(2-chloropropyl)-N-methylhexanamide

C10H20ClNO — CID 63394168

IUPACN-(2-chloropropyl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CC(C)Cl
InChIInChI=1S/C10H20ClNO/c1-4-5-6-7-10(13)12(3)8-9(2)11/h9H,4-8H2,1-3H3
InChIKeyNTTQCVLHYPICMA-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.65
Rot. Bonds6

About N-(2-chloropropyl)-N-methylhexanamide

N-(2-chloropropyl)-N-methylhexanamide (PubChem CID 63394168) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methylhexanamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methylhexanamide
PubChem CID63394168
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(2-chloropropyl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CC(C)Cl
InChIInChI=1S/C10H20ClNO/c1-4-5-6-7-10(13)12(3)8-9(2)11/h9H,4-8H2,1-3H3
InChIKeyNTTQCVLHYPICMA-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-bromopropyl)-N-methyloctanamide
CID 80665103
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
N-(3-amino-2-methylpropyl)-N-methyldecanamide
CID 65448907
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N-methylhexanamide?
The IUPAC name of N-(2-chloropropyl)-N-methylhexanamide (CID 63394168) is N-(2-chloropropyl)-N-methylhexanamide.
What is the SMILES notation for N-(2-chloropropyl)-N-methylhexanamide?
The canonical SMILES for N-(2-chloropropyl)-N-methylhexanamide is CCCCCC(=O)N(C)CC(C)Cl.
What is the InChIKey of N-(2-chloropropyl)-N-methylhexanamide?
The InChIKey is NTTQCVLHYPICMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-4-5-6-7-10(13)12(3)8-9(2)11/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-chloropropyl)-N-methylhexanamide?
N-(2-chloropropyl)-N-methylhexanamide has a molecular weight of 205.73 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methylhexanamide is sourced from PubChem (CID 63394168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).