N-butyl-2-methylpentanamide

C10H21NO — CID 3523341

IUPACN-butyl-2-methylpentanamide
SMILESCCCCNC(=O)C(C)CCC
InChIInChI=1S/C10H21NO/c1-4-6-8-11-10(12)9(3)7-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyVRHZOQQYHYXHEF-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds6

About N-butyl-2-methylpentanamide

N-butyl-2-methylpentanamide (PubChem CID 3523341) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butyl-2-methylpentanamide.

Molecular Properties

Compound NameN-butyl-2-methylpentanamide
PubChem CID3523341
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butyl-2-methylpentanamide
SMILESCCCCNC(=O)C(C)CCC
InChIInChI=1S/C10H21NO/c1-4-6-8-11-10(12)9(3)7-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyVRHZOQQYHYXHEF-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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methylpropyl)hexanimidic acid
CID 239248
Hexanamide, 2-ethyl-N-methyl-
CID 14216
N-Hexylbutanamide
CID 25112
Butanamide, N-(2-methylpropyl)-
CID 346250
N-isobutyloctanamide
CID 230173
N-isobutyl-decanamide
CID 3613503
6-Methylazepan-2-one
CID 22520
Valeramide, N-hexyl-
CID 82502
N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
3-Methylpiperidin-2-one
CID 107169
N-butylhexanamide
CID 252522
n-Butyl-2-methylpropanamide
CID 221968

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylpentanamide?
The IUPAC name of N-butyl-2-methylpentanamide (CID 3523341) is N-butyl-2-methylpentanamide.
What is the SMILES notation for N-butyl-2-methylpentanamide?
The canonical SMILES for N-butyl-2-methylpentanamide is CCCCNC(=O)C(C)CCC.
What is the InChIKey of N-butyl-2-methylpentanamide?
The InChIKey is VRHZOQQYHYXHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-8-11-10(12)9(3)7-5-2/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-butyl-2-methylpentanamide?
N-butyl-2-methylpentanamide 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 N-butyl-2-methylpentanamide is sourced from PubChem (CID 3523341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).