(2Z,5Z)-7-methylocta-2,5-dien-4-imine

C9H15N — CID 91291747

IUPAC(2Z,5Z)-7-methylocta-2,5-dien-4-imine
SMILES[H]/N=C(\C=C/C)/C=C\C(C)C
InChIInChI=1S/C9H15N/c1-4-5-9(10)7-6-8(2)3/h4-8,10H,1-3H3/b5-4-,7-6-,10-9+
InChIKeyFGSGDGBYQJQYGG-KVEPPTFVSA-N
MW137.23 g/mol
LogP2.79
Rot. Bonds3

About (2Z,5Z)-7-methylocta-2,5-dien-4-imine

(2Z,5Z)-7-methylocta-2,5-dien-4-imine (PubChem CID 91291747) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z,5Z)-7-methylocta-2,5-dien-4-imine.

Molecular Properties

Compound Name(2Z,5Z)-7-methylocta-2,5-dien-4-imine
PubChem CID91291747
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z,5Z)-7-methylocta-2,5-dien-4-imine
SMILES[H]/N=C(\C=C/C)/C=C\C(C)C
InChIInChI=1S/C9H15N/c1-4-5-9(10)7-6-8(2)3/h4-8,10H,1-3H3/b5-4-,7-6-,10-9+
InChIKeyFGSGDGBYQJQYGG-KVEPPTFVSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.79
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 (2Z,5Z)-7-methylocta-2,5-dien-4-imine?
The IUPAC name of (2Z,5Z)-7-methylocta-2,5-dien-4-imine (CID 91291747) is (2Z,5Z)-7-methylocta-2,5-dien-4-imine.
What is the SMILES notation for (2Z,5Z)-7-methylocta-2,5-dien-4-imine?
The canonical SMILES for (2Z,5Z)-7-methylocta-2,5-dien-4-imine is [H]/N=C(\C=C/C)/C=C\C(C)C.
What is the InChIKey of (2Z,5Z)-7-methylocta-2,5-dien-4-imine?
The InChIKey is FGSGDGBYQJQYGG-KVEPPTFVSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-9(10)7-6-8(2)3/h4-8,10H,1-3H3/b5-4-,7-6-,10-9+.
What are the key properties of (2Z,5Z)-7-methylocta-2,5-dien-4-imine?
(2Z,5Z)-7-methylocta-2,5-dien-4-imine has a molecular weight of 137.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-7-methylocta-2,5-dien-4-imine is sourced from PubChem (CID 91291747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).