(Z)-3-methyloct-5-ene-1,7-diimine

C9H16N2 — CID 90709896

IUPAC(Z)-3-methyloct-5-ene-1,7-diimine
SMILES[H]/N=C/CC(C)C/C=C\C(C)=N\[H]
InChIInChI=1S/C9H16N2/c1-8(6-7-10)4-3-5-9(2)11/h3,5,7-8,10-11H,4,6H2,1-2H3/b5-3-,10-7+,11-9+
InChIKeyPBZVTHQSWODZMQ-CDLXSBAISA-N
MW152.24 g/mol
LogP2.65
Rot. Bonds5

About (Z)-3-methyloct-5-ene-1,7-diimine

(Z)-3-methyloct-5-ene-1,7-diimine (PubChem CID 90709896) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-3-methyloct-5-ene-1,7-diimine.

Molecular Properties

Compound Name(Z)-3-methyloct-5-ene-1,7-diimine
PubChem CID90709896
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-3-methyloct-5-ene-1,7-diimine
SMILES[H]/N=C/CC(C)C/C=C\C(C)=N\[H]
InChIInChI=1S/C9H16N2/c1-8(6-7-10)4-3-5-9(2)11/h3,5,7-8,10-11H,4,6H2,1-2H3/b5-3-,10-7+,11-9+
InChIKeyPBZVTHQSWODZMQ-CDLXSBAISA-N
XLogP2.65
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-5-methylhex-2-ene-1,4-diimine
CID 123164030
1-(2-Ethylpyrrol-2-yl)ethanimine
CID 57211117
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(Z)-5,5-dimethylhex-2-ene-1,4-diimine
CID 88945909
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(Z)-3-ethylhex-4-en-1-imine
CID 89750002
(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
CID 91216602
5-Ethyl-2-methanimidoyl-6-methylcyclohex-2-en-1-imine
CID 91372737
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanimine
CID 91543347
(2Z,4Z)-3-[(2S)-butan-2-yl]hexa-2,4-dien-1-imine
CID 118687323
(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334
(Z)-3-propan-2-ylhex-4-en-1-imine
CID 118687372

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyloct-5-ene-1,7-diimine?
The IUPAC name of (Z)-3-methyloct-5-ene-1,7-diimine (CID 90709896) is (Z)-3-methyloct-5-ene-1,7-diimine.
What is the SMILES notation for (Z)-3-methyloct-5-ene-1,7-diimine?
The canonical SMILES for (Z)-3-methyloct-5-ene-1,7-diimine is [H]/N=C/CC(C)C/C=C\C(C)=N\[H].
What is the InChIKey of (Z)-3-methyloct-5-ene-1,7-diimine?
The InChIKey is PBZVTHQSWODZMQ-CDLXSBAISA-N. The full InChI is InChI=1S/C9H16N2/c1-8(6-7-10)4-3-5-9(2)11/h3,5,7-8,10-11H,4,6H2,1-2H3/b5-3-,10-7+,11-9+.
What are the key properties of (Z)-3-methyloct-5-ene-1,7-diimine?
(Z)-3-methyloct-5-ene-1,7-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyloct-5-ene-1,7-diimine is sourced from PubChem (CID 90709896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).