(3Z,5Z)-4-methylhepta-3,5-dien-2-imine

C8H13N — CID 89477351

IUPAC(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(C)\C=C/C
InChIInChI=1S/C8H13N/c1-4-5-7(2)6-8(3)9/h4-6,9H,1-3H3/b5-4-,7-6-,9-8+
InChIKeyWOWGZXUWNZGSIL-JCBGPSFGSA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds2

About (3Z,5Z)-4-methylhepta-3,5-dien-2-imine

(3Z,5Z)-4-methylhepta-3,5-dien-2-imine (PubChem CID 89477351) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3Z,5Z)-4-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
PubChem CID89477351
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(C)\C=C/C
InChIInChI=1S/C8H13N/c1-4-5-7(2)6-8(3)9/h4-6,9H,1-3H3/b5-4-,7-6-,9-8+
InChIKeyWOWGZXUWNZGSIL-JCBGPSFGSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.55
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

(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
(Z)-4-N-ethylidenepent-3-ene-2,4-diimine
CID 154517180
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193
(2E,4E)-3-methylhexa-2,4-dienoyl chloride
CID 58952072
3-methylhexa-2,4-dienoyl chloride
CID 71402233
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
CID 143375975
(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(Z)-hept-3-ene-2,5-diimine
CID 143456495
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-methylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-4-methylhepta-3,5-dien-2-imine (CID 89477351) is (3Z,5Z)-4-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-4-methylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-4-methylhepta-3,5-dien-2-imine is [H]/N=C(C)/C=C(C)\C=C/C.
What is the InChIKey of (3Z,5Z)-4-methylhepta-3,5-dien-2-imine?
The InChIKey is WOWGZXUWNZGSIL-JCBGPSFGSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-7(2)6-8(3)9/h4-6,9H,1-3H3/b5-4-,7-6-,9-8+.
What are the key properties of (3Z,5Z)-4-methylhepta-3,5-dien-2-imine?
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine has a molecular weight of 123.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 89477351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).