1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane

C15H26N2 — CID 145266167

IUPAC1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane
SMILESC/C=C(C)\N=C1/C=CC(C)=CC1CNC.CC
InChIInChI=1S/C13H20N2.C2H6/c1-5-11(3)15-13-7-6-10(2)8-12(13)9-14-4;1-2/h5-8,12,14H,9H2,1-4H3;1-2H3/b11-5-,15-13+;
InChIKeySKMZADDYLNDGQE-KRPXMOLXSA-N
MW234.39 g/mol
LogP3.73
Rot. Bonds3

About 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane

1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane (PubChem CID 145266167) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane
PubChem CID145266167
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane
SMILESC/C=C(C)\N=C1/C=CC(C)=CC1CNC.CC
InChIInChI=1S/C13H20N2.C2H6/c1-5-11(3)15-13-7-6-10(2)8-12(13)9-14-4;1-2/h5-8,12,14H,9H2,1-4H3;1-2H3/b11-5-,15-13+;
InChIKeySKMZADDYLNDGQE-KRPXMOLXSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydroazepinoindole
CID 66694474
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
Hexahydroazonino[5,6-b]indole
CID 129799442
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
N'-[7-(4-aminobutylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]butane-1,4-diamine
CID 101917798
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
N,3-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
CID 67679348

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane?
The IUPAC name of 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane (CID 145266167) is 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane.
What is the SMILES notation for 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane?
The canonical SMILES for 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane is C/C=C(C)\N=C1/C=CC(C)=CC1CNC.CC.
What is the InChIKey of 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane?
The InChIKey is SKMZADDYLNDGQE-KRPXMOLXSA-N. The full InChI is InChI=1S/C13H20N2.C2H6/c1-5-11(3)15-13-7-6-10(2)8-12(13)9-14-4;1-2/h5-8,12,14H,9H2,1-4H3;1-2H3/b11-5-,15-13+;.
What are the key properties of 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane?
1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane has a molecular weight of 234.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(Z)-but-2-en-2-yl]imino-3-methylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine;ethane is sourced from PubChem (CID 145266167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).