N,N'-dimethylheptanediamide

C9H18N2O2 — CID 15166696

IUPACN,N'-dimethylheptanediamide
SMILESCNC(=O)CCCCCC(=O)NC
InChIInChI=1S/C9H18N2O2/c1-10-8(12)6-4-3-5-7-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyJRIRAKOCKQLZSZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.43
Rot. Bonds6

About N,N'-dimethylheptanediamide

N,N'-dimethylheptanediamide (PubChem CID 15166696) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N,N'-dimethylheptanediamide.

Molecular Properties

Compound NameN,N'-dimethylheptanediamide
PubChem CID15166696
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN,N'-dimethylheptanediamide
SMILESCNC(=O)CCCCCC(=O)NC
InChIInChI=1S/C9H18N2O2/c1-10-8(12)6-4-3-5-7-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyJRIRAKOCKQLZSZ-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-methyl-N'-sulfanylnonanediamide
CID 143363504
N-methyl-11-(methylamino)undecanamide
CID 59809097
N-methyl-6-sulfanylhexanamide
CID 58262294
CID 59445332
CID 59445332
ethane;N-methyltetradecanamide
CID 153349961
N-methyl-18-oxooctadecanamide
CID 145081820
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
5-bromo-N-methylpentanamide
CID 19971018
6-(dimethylamino)-N-methylhexanamide
CID 58019688

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylheptanediamide?
The IUPAC name of N,N'-dimethylheptanediamide (CID 15166696) is N,N'-dimethylheptanediamide.
What is the SMILES notation for N,N'-dimethylheptanediamide?
The canonical SMILES for N,N'-dimethylheptanediamide is CNC(=O)CCCCCC(=O)NC.
What is the InChIKey of N,N'-dimethylheptanediamide?
The InChIKey is JRIRAKOCKQLZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-8(12)6-4-3-5-7-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N,N'-dimethylheptanediamide?
N,N'-dimethylheptanediamide has a molecular weight of 186.25 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylheptanediamide is sourced from PubChem (CID 15166696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).