(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine

C11H17N — CID 144635572

IUPAC(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C(C)=C(C)\C=C/C
InChIInChI=1S/C11H17N/c1-6-7-8(2)9(3)10(4)11(5)12/h6-7,12H,4H2,1-3,5H3/b7-6-,9-8-,12-11+
InChIKeyOYDRYPKIWBLHFS-DZDLBBEMSA-N
MW163.26 g/mol
LogP3.49
Rot. Bonds3

About (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine

(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine (PubChem CID 144635572) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
PubChem CID144635572
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C(C)=C(C)\C=C/C
InChIInChI=1S/C11H17N/c1-6-7-8(2)9(3)10(4)11(5)12/h6-7,12H,4H2,1-3,5H3/b7-6-,9-8-,12-11+
InChIKeyOYDRYPKIWBLHFS-DZDLBBEMSA-N
XLogP3.49
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.49
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'}

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Related Compounds

(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine
CID 166659852
(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
CID 118070320
(Z)-2-methylidenepent-3-enimidoyl chloride
CID 122550265
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
CID 144984649
methyl 3-imino-2-methylidenebutanoate
CID 91520499
4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
CID 59890757
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine?
The IUPAC name of (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine (CID 144635572) is (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine.
What is the SMILES notation for (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine?
The canonical SMILES for (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine is [H]/N=C(\C)C(=C)/C(C)=C(C)\C=C/C.
What is the InChIKey of (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine?
The InChIKey is OYDRYPKIWBLHFS-DZDLBBEMSA-N. The full InChI is InChI=1S/C11H17N/c1-6-7-8(2)9(3)10(4)11(5)12/h6-7,12H,4H2,1-3,5H3/b7-6-,9-8-,12-11+.
What are the key properties of (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine?
(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine has a molecular weight of 163.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine is sourced from PubChem (CID 144635572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).