N-(2-methylpentan-2-yl)formamide

C7H15NO — CID 19354357

IUPACN-(2-methylpentan-2-yl)formamide
SMILESCCCC(C)(C)NC=O
InChIInChI=1S/C7H15NO/c1-4-5-7(2,3)8-6-9/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHYLRVJFTWMYDEM-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.31
Rot. Bonds4

About N-(2-methylpentan-2-yl)formamide

N-(2-methylpentan-2-yl)formamide (PubChem CID 19354357) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)formamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)formamide
PubChem CID19354357
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(2-methylpentan-2-yl)formamide
SMILESCCCC(C)(C)NC=O
InChIInChI=1S/C7H15NO/c1-4-5-7(2,3)8-6-9/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHYLRVJFTWMYDEM-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylpentan-2-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)formamide?
The IUPAC name of N-(2-methylpentan-2-yl)formamide (CID 19354357) is N-(2-methylpentan-2-yl)formamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)formamide?
The canonical SMILES for N-(2-methylpentan-2-yl)formamide is CCCC(C)(C)NC=O.
What is the InChIKey of N-(2-methylpentan-2-yl)formamide?
The InChIKey is HYLRVJFTWMYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(2,3)8-6-9/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(2-methylpentan-2-yl)formamide?
N-(2-methylpentan-2-yl)formamide has a molecular weight of 129.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)formamide is sourced from PubChem (CID 19354357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).