7-methyloct-7-en-1-imine

C9H17N — CID 140575847

IUPAC7-methyloct-7-en-1-imine
SMILES[H]/N=C/CCCCCC(=C)C
InChIInChI=1S/C9H17N/c1-9(2)7-5-3-4-6-8-10/h8,10H,1,3-7H2,2H3/b10-8+
InChIKeyRIVMGYHXEGEJJP-CSKARUKUSA-N
MW139.24 g/mol
LogP3.16
Rot. Bonds6

About 7-methyloct-7-en-1-imine

7-methyloct-7-en-1-imine (PubChem CID 140575847) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 7-methyloct-7-en-1-imine.

Molecular Properties

Compound Name7-methyloct-7-en-1-imine
PubChem CID140575847
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name7-methyloct-7-en-1-imine
SMILES[H]/N=C/CCCCCC(=C)C
InChIInChI=1S/C9H17N/c1-9(2)7-5-3-4-6-8-10/h8,10H,1,3-7H2,2H3/b10-8+
InChIKeyRIVMGYHXEGEJJP-CSKARUKUSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 7-methyloct-7-en-1-imine?
The IUPAC name of 7-methyloct-7-en-1-imine (CID 140575847) is 7-methyloct-7-en-1-imine.
What is the SMILES notation for 7-methyloct-7-en-1-imine?
The canonical SMILES for 7-methyloct-7-en-1-imine is [H]/N=C/CCCCCC(=C)C.
What is the InChIKey of 7-methyloct-7-en-1-imine?
The InChIKey is RIVMGYHXEGEJJP-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)7-5-3-4-6-8-10/h8,10H,1,3-7H2,2H3/b10-8+.
What are the key properties of 7-methyloct-7-en-1-imine?
7-methyloct-7-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloct-7-en-1-imine is sourced from PubChem (CID 140575847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).