ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine

C15H31N3 — CID 142382887

IUPACethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
SMILESCC.CCC/C(C)=C\N=C(/C)C1CN(C)CCN1
InChIInChI=1S/C13H25N3.C2H6/c1-5-6-11(2)9-15-12(3)13-10-16(4)8-7-14-13;1-2/h9,13-14H,5-8,10H2,1-4H3;1-2H3/b11-9-,15-12+;
InChIKeyQVYIZJWEFWCCRY-JPADGCHBSA-N
MW253.43 g/mol
LogP3.08
Rot. Bonds4

About ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine

ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine (PubChem CID 142382887) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
PubChem CID142382887
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Nameethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
SMILESCC.CCC/C(C)=C\N=C(/C)C1CN(C)CCN1
InChIInChI=1S/C13H25N3.C2H6/c1-5-6-11(2)9-15-12(3)13-10-16(4)8-7-14-13;1-2/h9,13-14H,5-8,10H2,1-4H3;1-2H3/b11-9-,15-12+;
InChIKeyQVYIZJWEFWCCRY-JPADGCHBSA-N
XLogP3.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine
CID 123955239
6-iodo-2-(4-methylpiperazin-2-yl)-4,5-dihydro-3H-azepine
CID 135163627
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
3-methyl-N-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]butan-2-imine
CID 142358591
[(Z)-(4-azaniumylidene-1-methylpiperidin-3-ylidene)methyl]-methylazanium
CID 144213729
Ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine
CID 145198301
(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
CID 146229741
N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
CID 146665657
2-(1,2,3,6-Tetrahydropyrazin-5-yl)but-1-en-1-amine
CID 152721867
3-(5-Iodo-3,4-dihydropyridin-2-yl)-1-methylpiperazine
CID 156041995
(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 168977628

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
The IUPAC name of ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine (CID 142382887) is ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine.
What is the SMILES notation for ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
The canonical SMILES for ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine is CC.CCC/C(C)=C\N=C(/C)C1CN(C)CCN1.
What is the InChIKey of ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
The InChIKey is QVYIZJWEFWCCRY-JPADGCHBSA-N. The full InChI is InChI=1S/C13H25N3.C2H6/c1-5-6-11(2)9-15-12(3)13-10-16(4)8-7-14-13;1-2/h9,13-14H,5-8,10H2,1-4H3;1-2H3/b11-9-,15-12+;.
What are the key properties of ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine has a molecular weight of 253.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine is sourced from PubChem (CID 142382887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).