4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide

C14H27N3O — CID 64521638

IUPAC4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC1CC1)C1CC1)C(N)=O
InChIInChI=1S/C14H27N3O/c1-2-8-16-13(14(15)18)7-9-17(12-5-6-12)10-11-3-4-11/h11-13,16H,2-10H2,1H3,(H2,15,18)
InChIKeyWSXNGNLSBRRXQY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.10
Rot. Bonds10

About 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide

4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide (PubChem CID 64521638) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide
PubChem CID64521638
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC1CC1)C1CC1)C(N)=O
InChIInChI=1S/C14H27N3O/c1-2-8-16-13(14(15)18)7-9-17(12-5-6-12)10-11-3-4-11/h11-13,16H,2-10H2,1H3,(H2,15,18)
InChIKeyWSXNGNLSBRRXQY-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide (CID 64521638) is 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide is CCCNC(CCN(CC1CC1)C1CC1)C(N)=O.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide?
The InChIKey is WSXNGNLSBRRXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-8-16-13(14(15)18)7-9-17(12-5-6-12)10-11-3-4-11/h11-13,16H,2-10H2,1H3,(H2,15,18).
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide?
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide has a molecular weight of 253.39 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide is sourced from PubChem (CID 64521638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).