4,7-dimethyloctanamide

C10H21NO — CID 16638041

IUPAC4,7-dimethyloctanamide
SMILESCC(C)CCC(C)CCC(N)=O
InChIInChI=1S/C10H21NO/c1-8(2)4-5-9(3)6-7-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyBJYYTBSHYSFLPP-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds6

About 4,7-dimethyloctanamide

4,7-dimethyloctanamide (PubChem CID 16638041) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4,7-dimethyloctanamide.

Molecular Properties

Compound Name4,7-dimethyloctanamide
PubChem CID16638041
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4,7-dimethyloctanamide
SMILESCC(C)CCC(C)CCC(N)=O
InChIInChI=1S/C10H21NO/c1-8(2)4-5-9(3)6-7-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyBJYYTBSHYSFLPP-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-cyano-4-methylhexanamide
CID 87903617
21-methyldotetracontanediamide
CID 87333254
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
(4S)-4-amino-5-methylhexanamide
CID 90463437
3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
bis(2,5-dimethylhexyl) hexanedioate
CID 155755253
2,5-dimethylhexyl acetate
CID 90020662
4,7-dimethyloctan-2-one
CID 21437689
2-amino-4-methylpentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 22633836
6-fluoro-5-hydroxy-4-methylhexanamide
CID 118700037

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyloctanamide?
The IUPAC name of 4,7-dimethyloctanamide (CID 16638041) is 4,7-dimethyloctanamide.
What is the SMILES notation for 4,7-dimethyloctanamide?
The canonical SMILES for 4,7-dimethyloctanamide is CC(C)CCC(C)CCC(N)=O.
What is the InChIKey of 4,7-dimethyloctanamide?
The InChIKey is BJYYTBSHYSFLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)4-5-9(3)6-7-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 4,7-dimethyloctanamide?
4,7-dimethyloctanamide has a molecular weight of 171.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyloctanamide is sourced from PubChem (CID 16638041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).