4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide

C13H27N3O — CID 63053677

IUPAC4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(C)C(C)C1CC1)C(N)=O
InChIInChI=1S/C13H27N3O/c1-4-8-15-12(13(14)17)7-9-16(3)10(2)11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyBIHZCLRPCFLVOC-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds9

About 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide

4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide (PubChem CID 63053677) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide
PubChem CID63053677
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(C)C(C)C1CC1)C(N)=O
InChIInChI=1S/C13H27N3O/c1-4-8-15-12(13(14)17)7-9-16(3)10(2)11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyBIHZCLRPCFLVOC-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide (CID 63053677) is 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide is CCCNC(CCN(C)C(C)C1CC1)C(N)=O.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide?
The InChIKey is BIHZCLRPCFLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-8-15-12(13(14)17)7-9-16(3)10(2)11-5-6-11/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide?
4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide is sourced from PubChem (CID 63053677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).