6-methylocta-4,5-dien-1-imine

C9H15N — CID 123927186

IUPAC6-methylocta-4,5-dien-1-imine
SMILES[H]/N=C/CCC=C=C(C)CC
InChIInChI=1S/C9H15N/c1-3-9(2)7-5-4-6-8-10/h5,8,10H,3-4,6H2,1-2H3/b10-8+
InChIKeyMKYKBQWTCWJPPS-CSKARUKUSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds4

About 6-methylocta-4,5-dien-1-imine

6-methylocta-4,5-dien-1-imine (PubChem CID 123927186) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-methylocta-4,5-dien-1-imine.

Molecular Properties

Compound Name6-methylocta-4,5-dien-1-imine
PubChem CID123927186
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-methylocta-4,5-dien-1-imine
SMILES[H]/N=C/CCC=C=C(C)CC
InChIInChI=1S/C9H15N/c1-3-9(2)7-5-4-6-8-10/h5,8,10H,3-4,6H2,1-2H3/b10-8+
InChIKeyMKYKBQWTCWJPPS-CSKARUKUSA-N
XLogP2.93
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-3-methylocta-3,4,5,7-tetraen-1-imine
CID 163890112
4-Methylhexa-2,3-dien-1-imine
CID 20549624
4-Ethylhexa-2,3-dien-1-imine
CID 20549625
3-Methylbut-3-en-1-imine
CID 57143050
5-Methylhex-4-en-1-imine
CID 121263589
N,6-dimethylocta-4,5-dien-1-imine
CID 123188285
6-Methylhept-5-en-1-imine
CID 123203103
4-Methylideneheptan-1-imine
CID 123245757
Ethane;ethanimine;2-methylbut-1-ene
CID 144392975
4-Methylpent-4-en-1-imine
CID 144771742
6-Methylhept-6-en-1-imine
CID 147617836
Hepta-3,4-dien-1-imine
CID 153083783

Frequently Asked Questions

What is the IUPAC name of 6-methylocta-4,5-dien-1-imine?
The IUPAC name of 6-methylocta-4,5-dien-1-imine (CID 123927186) is 6-methylocta-4,5-dien-1-imine.
What is the SMILES notation for 6-methylocta-4,5-dien-1-imine?
The canonical SMILES for 6-methylocta-4,5-dien-1-imine is [H]/N=C/CCC=C=C(C)CC.
What is the InChIKey of 6-methylocta-4,5-dien-1-imine?
The InChIKey is MKYKBQWTCWJPPS-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(2)7-5-4-6-8-10/h5,8,10H,3-4,6H2,1-2H3/b10-8+.
What are the key properties of 6-methylocta-4,5-dien-1-imine?
6-methylocta-4,5-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylocta-4,5-dien-1-imine is sourced from PubChem (CID 123927186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).