4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one

C15H30N2O — CID 155720186

IUPAC4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one
SMILESC=C(CC(C)=O)N(C)CCCN(CCC)CCC
InChIInChI=1S/C15H30N2O/c1-6-9-17(10-7-2)12-8-11-16(5)14(3)13-15(4)18/h3,6-13H2,1-2,4-5H3
InChIKeyZTANREWDDVNBJA-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.92
Rot. Bonds11

About 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one

4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one (PubChem CID 155720186) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one.

Molecular Properties

Compound Name4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one
PubChem CID155720186
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one
SMILESC=C(CC(C)=O)N(C)CCCN(CCC)CCC
InChIInChI=1S/C15H30N2O/c1-6-9-17(10-7-2)12-8-11-16(5)14(3)13-15(4)18/h3,6-13H2,1-2,4-5H3
InChIKeyZTANREWDDVNBJA-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one?
The IUPAC name of 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one (CID 155720186) is 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one.
What is the SMILES notation for 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one?
The canonical SMILES for 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one is C=C(CC(C)=O)N(C)CCCN(CCC)CCC.
What is the InChIKey of 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one?
The InChIKey is ZTANREWDDVNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-9-17(10-7-2)12-8-11-16(5)14(3)13-15(4)18/h3,6-13H2,1-2,4-5H3.
What are the key properties of 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one?
4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dipropylamino)propyl-methylamino]pent-4-en-2-one is sourced from PubChem (CID 155720186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).