7-methyloct-7-en-2-imine

C9H17N — CID 123136673

IUPAC7-methyloct-7-en-2-imine
SMILES[H]/N=C(\C)CCCCC(=C)C
InChIInChI=1S/C9H17N/c1-8(2)6-4-5-7-9(3)10/h10H,1,4-7H2,2-3H3/b10-9+
InChIKeyADYGKCIVERBRML-MDZDMXLPSA-N
MW139.24 g/mol
LogP3.16
Rot. Bonds5

About 7-methyloct-7-en-2-imine

7-methyloct-7-en-2-imine (PubChem CID 123136673) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 7-methyloct-7-en-2-imine.

Molecular Properties

Compound Name7-methyloct-7-en-2-imine
PubChem CID123136673
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name7-methyloct-7-en-2-imine
SMILES[H]/N=C(\C)CCCCC(=C)C
InChIInChI=1S/C9H17N/c1-8(2)6-4-5-7-9(3)10/h10H,1,4-7H2,2-3H3/b10-9+
InChIKeyADYGKCIVERBRML-MDZDMXLPSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.16
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9R)-9-fluoro-4-methylidenedecane-2,5-diimine
CID 155158151
10-Fluoro-5-methylideneundecane-3,6-diimine
CID 155158153
9-Fluoro-4-methylidenedecane-2,5-diimine
CID 155158257
4-Methylpent-4-en-2-imine
CID 18713791
(4Z)-4-methylcyclooct-4-en-1-imine
CID 59932861
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332
(6E)-2,6-dimethylocta-1,6-dien-3-imine
CID 89849288
8-Methylnon-7-en-2-imine
CID 90700434
6-Methyldec-6-en-2-imine
CID 90707905
9-Methylundec-9-en-3-imine
CID 90776587
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
2,5-Dimethylhept-1-en-3-imine
CID 91222633

Frequently Asked Questions

What is the IUPAC name of 7-methyloct-7-en-2-imine?
The IUPAC name of 7-methyloct-7-en-2-imine (CID 123136673) is 7-methyloct-7-en-2-imine.
What is the SMILES notation for 7-methyloct-7-en-2-imine?
The canonical SMILES for 7-methyloct-7-en-2-imine is [H]/N=C(\C)CCCCC(=C)C.
What is the InChIKey of 7-methyloct-7-en-2-imine?
The InChIKey is ADYGKCIVERBRML-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-4-5-7-9(3)10/h10H,1,4-7H2,2-3H3/b10-9+.
What are the key properties of 7-methyloct-7-en-2-imine?
7-methyloct-7-en-2-imine has a molecular weight of 139.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloct-7-en-2-imine is sourced from PubChem (CID 123136673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).