1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine

C14H31N5O — CID 145123754

IUPAC1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CCN)CC1.NCCCN1CCCC1=O
InChIInChI=1S/C7H17N3.C7H14N2O/c1-9-4-6-10(3-2-8)7-5-9;8-4-2-6-9-5-1-3-7(9)10/h2-8H2,1H3;1-6,8H2
InChIKeyXFPHGYIBXCPNFC-UHFFFAOYSA-N
MW285.44 g/mol
LogP-0.85
Rot. Bonds5

About 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine

1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 145123754) has the molecular formula C14H31N5O and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID145123754
Molecular FormulaC14H31N5O
Molecular Weight285.44 g/mol
Exact Mass285.25
IUPAC Name1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CCN)CC1.NCCCN1CCCC1=O
InChIInChI=1S/C7H17N3.C7H14N2O/c1-9-4-6-10(3-2-8)7-5-9;8-4-2-6-9-5-1-3-7(9)10/h2-8H2,1H3;1-6,8H2
InChIKeyXFPHGYIBXCPNFC-UHFFFAOYSA-N
XLogP-0.85
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-(3-aminopropyl)-4-methylpiperazin-2-one
CID 69460716
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 71094030
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
CID 544111
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
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
1-[3-[dimethoxy(methyl)silyl]propyl]pyrrolidin-2-one
CID 19753601
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine (CID 145123754) is 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(CCN)CC1.NCCCN1CCCC1=O.
What is the InChIKey of 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is XFPHGYIBXCPNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.C7H14N2O/c1-9-4-6-10(3-2-8)7-5-9;8-4-2-6-9-5-1-3-7(9)10/h2-8H2,1H3;1-6,8H2.
What are the key properties of 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine?
1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 145123754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).