4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide

C15H31N3O — CID 64705483

IUPAC4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)N(CC)CC1CC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-5-9-17-15(4,14(16)19)10-12(3)18(6-2)11-13-7-8-13/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyLXINTJUIQTWKMB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds10

About 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide

4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide (PubChem CID 64705483) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
PubChem CID64705483
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)N(CC)CC1CC1)C(N)=O
InChIInChI=1S/C15H31N3O/c1-5-9-17-15(4,14(16)19)10-12(3)18(6-2)11-13-7-8-13/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyLXINTJUIQTWKMB-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide (CID 64705483) is 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)N(CC)CC1CC1)C(N)=O.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide?
The InChIKey is LXINTJUIQTWKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-9-17-15(4,14(16)19)10-12(3)18(6-2)11-13-7-8-13/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide?
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 64705483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).