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

C9H15N — CID 123441030

IUPAC(2Z)-5-methylocta-2,5-dien-4-imine
SMILES[H]/N=C(/C=C\C)C(C)=CCC
InChIInChI=1S/C9H15N/c1-4-6-8(3)9(10)7-5-2/h5-7,10H,4H2,1-3H3/b7-5-,8-6?,10-9-
InChIKeyZPQARJSQHSCNSS-FPSYPHLVSA-N
MW137.23 g/mol
LogP2.94
Rot. Bonds3

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

(2Z)-5-methylocta-2,5-dien-4-imine (PubChem CID 123441030) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z)-5-methylocta-2,5-dien-4-imine.

Molecular Properties

Compound Name(2Z)-5-methylocta-2,5-dien-4-imine
PubChem CID123441030
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z)-5-methylocta-2,5-dien-4-imine
SMILES[H]/N=C(/C=C\C)C(C)=CCC
InChIInChI=1S/C9H15N/c1-4-6-8(3)9(10)7-5-2/h5-7,10H,4H2,1-3H3/b7-5-,8-6?,10-9-
InChIKeyZPQARJSQHSCNSS-FPSYPHLVSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methylocta-2,5-dien-4-imine?
The IUPAC name of (2Z)-5-methylocta-2,5-dien-4-imine (CID 123441030) is (2Z)-5-methylocta-2,5-dien-4-imine.
What is the SMILES notation for (2Z)-5-methylocta-2,5-dien-4-imine?
The canonical SMILES for (2Z)-5-methylocta-2,5-dien-4-imine is [H]/N=C(/C=C\C)C(C)=CCC.
What is the InChIKey of (2Z)-5-methylocta-2,5-dien-4-imine?
The InChIKey is ZPQARJSQHSCNSS-FPSYPHLVSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-8(3)9(10)7-5-2/h5-7,10H,4H2,1-3H3/b7-5-,8-6?,10-9-.
What are the key properties of (2Z)-5-methylocta-2,5-dien-4-imine?
(2Z)-5-methylocta-2,5-dien-4-imine has a molecular weight of 137.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methylocta-2,5-dien-4-imine is sourced from PubChem (CID 123441030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).