ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine

C13H25N3 — CID 142345667

IUPACethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C(=C)C)N1CCN(C)CC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14;1-2/h9H,1,3,5-8H2,2,4H3;1-2H3/b11-9+;
InChIKeyHRBKIKLCOVOTPP-LBEJWNQZSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds3

About ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine

ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine (PubChem CID 142345667) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
PubChem CID142345667
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C(=C)C)N1CCN(C)CC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14;1-2/h9H,1,3,5-8H2,2,4H3;1-2H3/b11-9+;
InChIKeyHRBKIKLCOVOTPP-LBEJWNQZSA-N
XLogP2.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 123244077
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
CID 129059916
N-[(1Z)-1-(4-ethylpiperazin-1-yl)-4-methylpenta-1,3-dienyl]methanimine
CID 142264893
(1Z)-N-ethyl-3-methyl-1-(methylideneamino)-N-propylbuta-1,3-dien-1-amine
CID 144023824
N-[(1Z,3E)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]propan-2-imine
CID 144075770
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
CID 144895565
N-[(Z)-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156727096
(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine
CID 156819648
2-methyl-N-[(Z)-1-(4-methylpiperazin-1-yl)prop-1-enyl]prop-2-en-1-imine
CID 163966216
N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine
CID 142345668

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine (CID 142345667) is ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine is C=N/C(=C\C(=C)C)N1CCN(C)CC1.CC.
What is the InChIKey of ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
The InChIKey is HRBKIKLCOVOTPP-LBEJWNQZSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-10(2)9-11(12-3)14-7-5-13(4)6-8-14;1-2/h9H,1,3,5-8H2,2,4H3;1-2H3/b11-9+;.
What are the key properties of ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine?
ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-3-methyl-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 142345667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).