N-cyclopropyl-3-methylbutanamide

C8H15NO — CID 5001817

IUPACN-cyclopropyl-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CC1
InChIInChI=1S/C8H15NO/c1-6(2)5-8(10)9-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyBRPWLZJXBXTZKO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds3

About N-cyclopropyl-3-methylbutanamide

N-cyclopropyl-3-methylbutanamide (PubChem CID 5001817) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methylbutanamide
PubChem CID5001817
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-cyclopropyl-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CC1
InChIInChI=1S/C8H15NO/c1-6(2)5-8(10)9-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyBRPWLZJXBXTZKO-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methylbutanamide?
The IUPAC name of N-cyclopropyl-3-methylbutanamide (CID 5001817) is N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for N-cyclopropyl-3-methylbutanamide is CC(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-methylbutanamide?
The InChIKey is BRPWLZJXBXTZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)5-8(10)9-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-cyclopropyl-3-methylbutanamide?
N-cyclopropyl-3-methylbutanamide has a molecular weight of 141.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 5001817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).