N-methyl-N-(3-methylpentan-3-yl)formamide

C8H17NO — CID 54238149

IUPACN-methyl-N-(3-methylpentan-3-yl)formamide
SMILESCCC(C)(CC)N(C)C=O
InChIInChI=1S/C8H17NO/c1-5-8(3,6-2)9(4)7-10/h7H,5-6H2,1-4H3
InChIKeyBVYYPEAGJIQHFX-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-N-(3-methylpentan-3-yl)formamide

N-methyl-N-(3-methylpentan-3-yl)formamide (PubChem CID 54238149) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-N-(3-methylpentan-3-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylpentan-3-yl)formamide
PubChem CID54238149
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-N-(3-methylpentan-3-yl)formamide
SMILESCCC(C)(CC)N(C)C=O
InChIInChI=1S/C8H17NO/c1-5-8(3,6-2)9(4)7-10/h7H,5-6H2,1-4H3
InChIKeyBVYYPEAGJIQHFX-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N-(3-methylpentan-3-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-methyl-N-(3-methylpentan-3-yl)formamide?
The IUPAC name of N-methyl-N-(3-methylpentan-3-yl)formamide (CID 54238149) is N-methyl-N-(3-methylpentan-3-yl)formamide.
What is the SMILES notation for N-methyl-N-(3-methylpentan-3-yl)formamide?
The canonical SMILES for N-methyl-N-(3-methylpentan-3-yl)formamide is CCC(C)(CC)N(C)C=O.
What is the InChIKey of N-methyl-N-(3-methylpentan-3-yl)formamide?
The InChIKey is BVYYPEAGJIQHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(3,6-2)9(4)7-10/h7H,5-6H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylpentan-3-yl)formamide?
N-methyl-N-(3-methylpentan-3-yl)formamide has a molecular weight of 143.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylpentan-3-yl)formamide is sourced from PubChem (CID 54238149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).