4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one

C15H30N2O — CID 86899016

IUPAC4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCCCN(CCC)CCCC(=O)N1CCC(C)C1
InChIInChI=1S/C15H30N2O/c1-4-9-16(10-5-2)11-6-7-15(18)17-12-8-14(3)13-17/h14H,4-13H2,1-3H3
InChIKeyUJCZKSOFZRLPKM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.76
Rot. Bonds8

About 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one

4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 86899016) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
PubChem CID86899016
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCCCN(CCC)CCCC(=O)N1CCC(C)C1
InChIInChI=1S/C15H30N2O/c1-4-9-16(10-5-2)11-6-7-15(18)17-12-8-14(3)13-17/h14H,4-13H2,1-3H3
InChIKeyUJCZKSOFZRLPKM-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
CID 82042946
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
CID 119518214
4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
CID 62014831
1-(3-methylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107023837
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130660557
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 126804088
ethane;1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 145076820

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one (CID 86899016) is 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one is CCCN(CCC)CCCC(=O)N1CCC(C)C1.
What is the InChIKey of 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is UJCZKSOFZRLPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-9-16(10-5-2)11-6-7-15(18)17-12-8-14(3)13-17/h14H,4-13H2,1-3H3.
What are the key properties of 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one?
4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 86899016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).