3,4-dimethyl-N-propylpentanamide

C10H21NO — CID 89425193

IUPAC3,4-dimethyl-N-propylpentanamide
SMILESCCCNC(=O)CC(C)C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-11-10(12)7-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyKHHJEYCCNZIRBD-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.19
Rot. Bonds5

About 3,4-dimethyl-N-propylpentanamide

3,4-dimethyl-N-propylpentanamide (PubChem CID 89425193) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3,4-dimethyl-N-propylpentanamide.

Molecular Properties

Compound Name3,4-dimethyl-N-propylpentanamide
PubChem CID89425193
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3,4-dimethyl-N-propylpentanamide
SMILESCCCNC(=O)CC(C)C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-11-10(12)7-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyKHHJEYCCNZIRBD-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-propylhexanamide
CID 143315126
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide
CID 159436243
3-cyano-N-propylbutanamide
CID 82111211
4,4,4-trifluoro-3-methyl-N-propylbutanamide
CID 162623070
methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide
CID 162025713
N,N'-dipropyl-2-(propylamino)butanediamide
CID 90878488
3,4-diamino-N-propylbutanamide
CID 66426337
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
2-iodo-N-propylpropanamide
CID 64787589
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
3-[methyl(propan-2-yl)amino]-N-propylpropanamide
CID 170366588

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-propylpentanamide?
The IUPAC name of 3,4-dimethyl-N-propylpentanamide (CID 89425193) is 3,4-dimethyl-N-propylpentanamide.
What is the SMILES notation for 3,4-dimethyl-N-propylpentanamide?
The canonical SMILES for 3,4-dimethyl-N-propylpentanamide is CCCNC(=O)CC(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-N-propylpentanamide?
The InChIKey is KHHJEYCCNZIRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-11-10(12)7-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 3,4-dimethyl-N-propylpentanamide?
3,4-dimethyl-N-propylpentanamide has a molecular weight of 171.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-propylpentanamide is sourced from PubChem (CID 89425193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).