3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one

C15H28N2O2 — CID 155278229

IUPAC3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one
SMILESCCCN(CCC)CCCN(C)C1=C(C)C(=O)C1O
InChIInChI=1S/C15H28N2O2/c1-5-8-17(9-6-2)11-7-10-16(4)13-12(3)14(18)15(13)19/h15,19H,5-11H2,1-4H3
InChIKeyMHEHQMVMJJVLDK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds9

About 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one

3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one (PubChem CID 155278229) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one
PubChem CID155278229
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one
SMILESCCCN(CCC)CCCN(C)C1=C(C)C(=O)C1O
InChIInChI=1S/C15H28N2O2/c1-5-8-17(9-6-2)11-7-10-16(4)13-12(3)14(18)15(13)19/h15,19H,5-11H2,1-4H3
InChIKeyMHEHQMVMJJVLDK-UHFFFAOYSA-N
XLogP1.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dipropylamino)propyl-methylamino]-3-methyl-4-sulfanylidenecyclobut-2-en-1-one;ethane;propane
CID 156727871
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
3-tert-butyl-4-[3-[ethyl(propyl)amino]propyl-methylamino]cyclobut-3-ene-1,2-dione
CID 146180046
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
4-[2-hydroxyethyl(propyl)amino]-N,N-dimethylbutanamide
CID 62015425
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
N,N-dipropylpropan-1-amine;propane
CID 174574210
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
3-[3-[ethyl(propyl)amino]propyl-methylamino]-2-propan-2-yl-4-sulfanylidenecyclobut-2-en-1-one
CID 167267503
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one?
The IUPAC name of 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one (CID 155278229) is 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one.
What is the SMILES notation for 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one?
The canonical SMILES for 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one is CCCN(CCC)CCCN(C)C1=C(C)C(=O)C1O.
What is the InChIKey of 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one?
The InChIKey is MHEHQMVMJJVLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-8-17(9-6-2)11-7-10-16(4)13-12(3)14(18)15(13)19/h15,19H,5-11H2,1-4H3.
What are the key properties of 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one?
3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dipropylamino)propyl-methylamino]-4-hydroxy-2-methylcyclobut-2-en-1-one is sourced from PubChem (CID 155278229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).