(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine

C9H13N — CID 143971221

IUPAC(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
SMILES[H]/N=C/C=C\C(=C)CC(=C)C
InChIInChI=1S/C9H13N/c1-8(2)7-9(3)5-4-6-10/h4-6,10H,1,3,7H2,2H3/b5-4-,10-6+
InChIKeyXENQYDOTWXSNOO-VWJYOPCBSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds4

About (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine

(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine (PubChem CID 143971221) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine.

Molecular Properties

Compound Name(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
PubChem CID143971221
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
SMILES[H]/N=C/C=C\C(=C)CC(=C)C
InChIInChI=1S/C9H13N/c1-8(2)7-9(3)5-4-6-10/h4-6,10H,1,3,7H2,2H3/b5-4-,10-6+
InChIKeyXENQYDOTWXSNOO-VWJYOPCBSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen
CID 143231030
(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine
CID 143263122
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
(Z)-4-imino-N-methylpent-2-en-1-amine
CID 145282389
azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 162357982
(Z)-4-iminobut-2-enimidoyl fluoride
CID 146392552
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
6-methylhepta-4,6-dien-1-imine
CID 123768146
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202
octa-2,6-dien-1-imine
CID 172654188
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine?
The IUPAC name of (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine (CID 143971221) is (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine.
What is the SMILES notation for (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine?
The canonical SMILES for (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine is [H]/N=C/C=C\C(=C)CC(=C)C.
What is the InChIKey of (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine?
The InChIKey is XENQYDOTWXSNOO-VWJYOPCBSA-N. The full InChI is InChI=1S/C9H13N/c1-8(2)7-9(3)5-4-6-10/h4-6,10H,1,3,7H2,2H3/b5-4-,10-6+.
What are the key properties of (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine?
(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine is sourced from PubChem (CID 143971221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).