(4Z)-6-methylhepta-1,4-dien-3-imine

C8H13N — CID 123604757

IUPAC(4Z)-6-methylhepta-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C=C\C(C)C
InChIInChI=1S/C8H13N/c1-4-8(9)6-5-7(2)3/h4-7,9H,1H2,2-3H3/b6-5-,9-8+
InChIKeyXLPSHGGKYCRZNV-UEPDSTOUSA-N
MW123.20 g/mol
LogP2.40
Rot. Bonds3

About (4Z)-6-methylhepta-1,4-dien-3-imine

(4Z)-6-methylhepta-1,4-dien-3-imine (PubChem CID 123604757) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4Z)-6-methylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-6-methylhepta-1,4-dien-3-imine
PubChem CID123604757
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4Z)-6-methylhepta-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C=C\C(C)C
InChIInChI=1S/C8H13N/c1-4-8(9)6-5-7(2)3/h4-7,9H,1H2,2-3H3/b6-5-,9-8+
InChIKeyXLPSHGGKYCRZNV-UEPDSTOUSA-N
XLogP2.40
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-imino-2,5-cyclohexadiene
CID 12984282
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
(E)-4-fluoro-5-methylhex-3-en-2-imine
CID 123219991
(Z)-5-fluorohex-3-en-2-imine
CID 123591050
2-Fluoro-5-methylcyclohepta-2,6-dien-1-imine
CID 123756912
(4Z)-2-fluorohexa-1,4-dien-3-imine
CID 123935448
(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine
CID 163963041
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
(3Z)-4-methylhexa-3,5-dien-2-imine
CID 12661001
3-Methylpent-3-en-2-imine
CID 15835473
(E)-3-methylpent-3-en-2-imine
CID 22944994
4-Methylpent-3-en-2-imine
CID 23064943

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-methylhepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-6-methylhepta-1,4-dien-3-imine (CID 123604757) is (4Z)-6-methylhepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-6-methylhepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-6-methylhepta-1,4-dien-3-imine is [H]/N=C(C=C)/C=C\C(C)C.
What is the InChIKey of (4Z)-6-methylhepta-1,4-dien-3-imine?
The InChIKey is XLPSHGGKYCRZNV-UEPDSTOUSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8(9)6-5-7(2)3/h4-7,9H,1H2,2-3H3/b6-5-,9-8+.
What are the key properties of (4Z)-6-methylhepta-1,4-dien-3-imine?
(4Z)-6-methylhepta-1,4-dien-3-imine has a molecular weight of 123.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-methylhepta-1,4-dien-3-imine is sourced from PubChem (CID 123604757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).