(Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene

C20H29N — CID 144856705

IUPAC(Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene
SMILESC/C=C\C(=C/C(C)C)c1cccc(C)c1.[H]/N=C/C(C)=C\C
InChIInChI=1S/C15H20.C5H9N/c1-5-7-14(10-12(2)3)15-9-6-8-13(4)11-15;1-3-5(2)4-6/h5-12H,1-4H3;3-4,6H,1-2H3/b7-5-,14-10+;5-3-,6-4+
InChIKeyQMXAYUUVAJTPKC-QGBVNGBESA-N
MW283.46 g/mol
LogP6.21
Rot. Bonds4

About (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene

(Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene (PubChem CID 144856705) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene.

Molecular Properties

Compound Name(Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene
PubChem CID144856705
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene
SMILESC/C=C\C(=C/C(C)C)c1cccc(C)c1.[H]/N=C/C(C)=C\C
InChIInChI=1S/C15H20.C5H9N/c1-5-7-14(10-12(2)3)15-9-6-8-13(4)11-15;1-3-5(2)4-6/h5-12H,1-4H3;3-4,6H,1-2H3/b7-5-,14-10+;5-3-,6-4+
InChIKeyQMXAYUUVAJTPKC-QGBVNGBESA-N
XLogP6.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene with MolForge

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Related Compounds

ethane;1-methyl-3-[(2E,4E)-7-methylocta-2,4,6-trien-4-yl]benzene
CID 143291684
1-methyl-3-(2-methylhexa-2,4-dien-3-yl)benzene
CID 123992267
1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
CID 13143516
4,4-bis(3-methylphenyl)but-3-en-2-amine
CID 12821410
methyl 3-methylbenzenecarboximidothioate
CID 58503711
3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 148702605
(Z)-3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 145049021
benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene
CID 144954093
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
3-methylbenzamide;2-methylpropane
CID 160767336
1-[(2E)-hexa-2,4,5-trien-3-yl]-3-methylbenzene
CID 143802893
(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine
CID 156683300

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene?
The IUPAC name of (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene (CID 144856705) is (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene.
What is the SMILES notation for (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene?
The canonical SMILES for (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene is C/C=C\C(=C/C(C)C)c1cccc(C)c1.[H]/N=C/C(C)=C\C.
What is the InChIKey of (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene?
The InChIKey is QMXAYUUVAJTPKC-QGBVNGBESA-N. The full InChI is InChI=1S/C15H20.C5H9N/c1-5-7-14(10-12(2)3)15-9-6-8-13(4)11-15;1-3-5(2)4-6/h5-12H,1-4H3;3-4,6H,1-2H3/b7-5-,14-10+;5-3-,6-4+.
What are the key properties of (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene?
(Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene has a molecular weight of 283.46 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylbut-2-en-1-imine;1-methyl-3-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]benzene is sourced from PubChem (CID 144856705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).