3-methyl-N-propylhexanamide

C10H21NO — CID 143315126

IUPAC3-methyl-N-propylhexanamide
SMILESCCCNC(=O)CC(C)CCC
InChIInChI=1S/C10H21NO/c1-4-6-9(3)8-10(12)11-7-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyAXYHBNZULLJFCW-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds6

About 3-methyl-N-propylhexanamide

3-methyl-N-propylhexanamide (PubChem CID 143315126) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-N-propylhexanamide.

Molecular Properties

Compound Name3-methyl-N-propylhexanamide
PubChem CID143315126
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-N-propylhexanamide
SMILESCCCNC(=O)CC(C)CCC
InChIInChI=1S/C10H21NO/c1-4-6-9(3)8-10(12)11-7-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyAXYHBNZULLJFCW-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
3,4-dimethyl-N-propylpentanamide
CID 89425193
4,4,4-trifluoro-3-methyl-N-propylbutanamide
CID 162623070
3-cyano-N-propylbutanamide
CID 82111211
(4R)-4-amino-N-propylpentanamide
CID 146234117
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-cyclopropyl-3-methylhexanamide
CID 155359047
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
N,N'-dipropyl-2-(propylamino)butanediamide
CID 90878488
3,4-diamino-N-propylbutanamide
CID 66426337
(2S)-4-methyl-2-[[2-(3-methylhexanoylamino)acetyl]amino]pentanoic acid
CID 120694809

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylhexanamide?
The IUPAC name of 3-methyl-N-propylhexanamide (CID 143315126) is 3-methyl-N-propylhexanamide.
What is the SMILES notation for 3-methyl-N-propylhexanamide?
The canonical SMILES for 3-methyl-N-propylhexanamide is CCCNC(=O)CC(C)CCC.
What is the InChIKey of 3-methyl-N-propylhexanamide?
The InChIKey is AXYHBNZULLJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-9(3)8-10(12)11-7-5-2/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-N-propylhexanamide?
3-methyl-N-propylhexanamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylhexanamide is sourced from PubChem (CID 143315126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).