N-cyclopropyl-N-(3-methylbutyl)formamide

C9H17NO — CID 64990775

IUPACN-cyclopropyl-N-(3-methylbutyl)formamide
SMILESCC(C)CCN(C=O)C1CC1
InChIInChI=1S/C9H17NO/c1-8(2)5-6-10(7-11)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeySSNPIDOUPZXKGX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds5

About N-cyclopropyl-N-(3-methylbutyl)formamide

N-cyclopropyl-N-(3-methylbutyl)formamide (PubChem CID 64990775) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)formamide
PubChem CID64990775
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)formamide
SMILESCC(C)CCN(C=O)C1CC1
InChIInChI=1S/C9H17NO/c1-8(2)5-6-10(7-11)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeySSNPIDOUPZXKGX-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-(3-methylbutyl)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-cyclopropyl-N-(3-methylbutyl)formamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)formamide (CID 64990775) is N-cyclopropyl-N-(3-methylbutyl)formamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)formamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)formamide is CC(C)CCN(C=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)formamide?
The InChIKey is SSNPIDOUPZXKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)5-6-10(7-11)9-3-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)formamide?
N-cyclopropyl-N-(3-methylbutyl)formamide has a molecular weight of 155.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)formamide is sourced from PubChem (CID 64990775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).