N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one

C21H45N3O — CID 67848441

IUPACN,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one
SMILESCCCCN(CCCC)CCCC.CN(C)CCCN1CCCC1=O
InChIInChI=1S/C12H27N.C9H18N2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-10(2)6-4-8-11-7-3-5-9(11)12/h4-12H2,1-3H3;3-8H2,1-2H3
InChIKeyFXJVBLDWNSLZBL-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.25
Rot. Bonds13

About N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one

N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one (PubChem CID 67848441) has the molecular formula C21H45N3O and a molecular weight of 355.61 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one
PubChem CID67848441
Molecular FormulaC21H45N3O
Molecular Weight355.61 g/mol
Exact Mass355.36
IUPAC NameN,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one
SMILESCCCCN(CCCC)CCCC.CN(C)CCCN1CCCC1=O
InChIInChI=1S/C12H27N.C9H18N2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-10(2)6-4-8-11-7-3-5-9(11)12/h4-12H2,1-3H3;3-8H2,1-2H3
InChIKeyFXJVBLDWNSLZBL-UHFFFAOYSA-N
XLogP4.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-(3-aminopropyl)pyrrolidin-2-one;N',N'-dibutylpropane-1,3-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;2-morpholin-4-ylethanamine;2-pyrrolidin-1-ylethanamine
CID 158036090
3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 43121970
1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
CID 142676515
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one (CID 67848441) is N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one is CCCCN(CCCC)CCCC.CN(C)CCCN1CCCC1=O.
What is the InChIKey of N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one?
The InChIKey is FXJVBLDWNSLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C9H18N2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-10(2)6-4-8-11-7-3-5-9(11)12/h4-12H2,1-3H3;3-8H2,1-2H3.
What are the key properties of N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one?
N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one has a molecular weight of 355.61 g/mol, XLogP of 4.25, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 67848441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).