3-methyl-N-(2-methylprop-2-enyl)pentanamide

C10H19NO — CID 114875356

IUPAC3-methyl-N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CC(C)CC
InChIInChI=1S/C10H19NO/c1-5-9(4)6-10(12)11-7-8(2)3/h9H,2,5-7H2,1,3-4H3,(H,11,12)
InChIKeyLGRHJURUJDQIQM-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds5

About 3-methyl-N-(2-methylprop-2-enyl)pentanamide

3-methyl-N-(2-methylprop-2-enyl)pentanamide (PubChem CID 114875356) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-N-(2-methylprop-2-enyl)pentanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylprop-2-enyl)pentanamide
PubChem CID114875356
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-N-(2-methylprop-2-enyl)pentanamide
SMILESC=C(C)CNC(=O)CC(C)CC
InChIInChI=1S/C10H19NO/c1-5-9(4)6-10(12)11-7-8(2)3/h9H,2,5-7H2,1,3-4H3,(H,11,12)
InChIKeyLGRHJURUJDQIQM-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
5-amino-4-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114617228
3-methyl-N-phenacylpentanamide
CID 114874845
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
4-amino-N-(2-methylprop-2-enyl)pentanamide
CID 114617045
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
CID 145418064
N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
CID 114876985

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylprop-2-enyl)pentanamide?
The IUPAC name of 3-methyl-N-(2-methylprop-2-enyl)pentanamide (CID 114875356) is 3-methyl-N-(2-methylprop-2-enyl)pentanamide.
What is the SMILES notation for 3-methyl-N-(2-methylprop-2-enyl)pentanamide?
The canonical SMILES for 3-methyl-N-(2-methylprop-2-enyl)pentanamide is C=C(C)CNC(=O)CC(C)CC.
What is the InChIKey of 3-methyl-N-(2-methylprop-2-enyl)pentanamide?
The InChIKey is LGRHJURUJDQIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(4)6-10(12)11-7-8(2)3/h9H,2,5-7H2,1,3-4H3,(H,11,12).
What are the key properties of 3-methyl-N-(2-methylprop-2-enyl)pentanamide?
3-methyl-N-(2-methylprop-2-enyl)pentanamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylprop-2-enyl)pentanamide is sourced from PubChem (CID 114875356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).