N-(2-methylpentyl)hexanamide

C12H25NO — CID 173325003

IUPACN-(2-methylpentyl)hexanamide
SMILESCCCCCC(=O)NCC(C)CCC
InChIInChI=1S/C12H25NO/c1-4-6-7-9-12(14)13-10-11(3)8-5-2/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyACKPDAYYTZZQPA-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds8

About N-(2-methylpentyl)hexanamide

N-(2-methylpentyl)hexanamide (PubChem CID 173325003) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-methylpentyl)hexanamide.

Molecular Properties

Compound NameN-(2-methylpentyl)hexanamide
PubChem CID173325003
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-methylpentyl)hexanamide
SMILESCCCCCC(=O)NCC(C)CCC
InChIInChI=1S/C12H25NO/c1-4-6-7-9-12(14)13-10-11(3)8-5-2/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyACKPDAYYTZZQPA-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
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-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(4-chloro-2-methylbutyl)nonanamide
CID 114306121
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[2-methyl-3-(methylamino)propyl]pentanamide
CID 81479545
N-(2-aminopropyl)octadecanamide
CID 86003506
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
N-(3-chlorobutyl)hexanamide
CID 114301760
N-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
N-(2-hydroxypentyl)pentanamide
CID 115700612
N-(3-chlorobutyl)heptanamide
CID 114753993
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)hexanamide?
The IUPAC name of N-(2-methylpentyl)hexanamide (CID 173325003) is N-(2-methylpentyl)hexanamide.
What is the SMILES notation for N-(2-methylpentyl)hexanamide?
The canonical SMILES for N-(2-methylpentyl)hexanamide is CCCCCC(=O)NCC(C)CCC.
What is the InChIKey of N-(2-methylpentyl)hexanamide?
The InChIKey is ACKPDAYYTZZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-7-9-12(14)13-10-11(3)8-5-2/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methylpentyl)hexanamide?
N-(2-methylpentyl)hexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)hexanamide is sourced from PubChem (CID 173325003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).