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

C41H98N12O2 — CID 158036090

IUPAC1-(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
SMILESCCCCN(CCCC)CCCN.CCN(CC)CCN.CN(C)CCCN.NCCCN1CCCC1=O.NCCN1CCCC1.NCCN1CCOCC1
InChIInChI=1S/C11H26N2.C7H14N2O.C6H14N2O.C6H14N2.C6H16N2.C5H14N2/c1-3-5-9-13(10-6-4-2)11-7-8-12;8-4-2-6-9-5-1-3-7(9)10;7-1-2-8-3-5-9-6-4-8;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;1-7(2)5-3-4-6/h3-12H2,1-2H3;1-6,8H2;1-7H2;1-7H2;3-7H2,1-2H3;3-6H2,1-2H3
InChIKeyFHTKJTKHDKGHSV-UHFFFAOYSA-N
MW791.32 g/mol
LogP1.70
Rot. Bonds23

About 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

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 (PubChem CID 158036090) has the molecular formula C41H98N12O2 and a molecular weight of 791.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158036090
Molecular FormulaC41H98N12O2
Molecular Weight791.32 g/mol
Exact Mass790.79
IUPAC Name1-(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
SMILESCCCCN(CCCC)CCCN.CCN(CC)CCN.CN(C)CCCN.NCCCN1CCCC1=O.NCCN1CCCC1.NCCN1CCOCC1
InChIInChI=1S/C11H26N2.C7H14N2O.C6H14N2O.C6H14N2.C6H16N2.C5H14N2/c1-3-5-9-13(10-6-4-2)11-7-8-12;8-4-2-6-9-5-1-3-7(9)10;7-1-2-8-3-5-9-6-4-8;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;1-7(2)5-3-4-6/h3-12H2,1-2H3;1-6,8H2;1-7H2;1-7H2;3-7H2,1-2H3;3-6H2,1-2H3
InChIKeyFHTKJTKHDKGHSV-UHFFFAOYSA-N
XLogP1.70
TPSA201.86 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.32
LogP ≤ 51.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN(CCCC)CCCN.CCN(CC)CCN.CN(C)CCCN.NCCCN1CCCC1=O.NCCN1CCCC1.NCCN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is FHTKJTKHDKGHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2.C7H14N2O.C6H14N2O.C6H14N2.C6H16N2.C5H14N2/c1-3-5-9-13(10-6-4-2)11-7-8-12;8-4-2-6-9-5-1-3-7(9)10;7-1-2-8-3-5-9-6-4-8;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;1-7(2)5-3-4-6/h3-12H2,1-2H3;1-6,8H2;1-7H2;1-7H2;3-7H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 791.32 g/mol, XLogP of 1.70, 23 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158036090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).