3-imino-5-methyloct-7-en-2-amine

C9H18N2 — CID 90277713

IUPAC3-imino-5-methyloct-7-en-2-amine
SMILES[H]/N=C(/CC(C)CC=C)C(C)N
InChIInChI=1S/C9H18N2/c1-4-5-7(2)6-9(11)8(3)10/h4,7-8,11H,1,5-6,10H2,2-3H3/b11-9-
InChIKeyISLODYTUTRAUBU-LUAWRHEFSA-N
MW154.26 g/mol
LogP1.96
Rot. Bonds5

About 3-imino-5-methyloct-7-en-2-amine

3-imino-5-methyloct-7-en-2-amine (PubChem CID 90277713) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-imino-5-methyloct-7-en-2-amine.

Molecular Properties

Compound Name3-imino-5-methyloct-7-en-2-amine
PubChem CID90277713
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-imino-5-methyloct-7-en-2-amine
SMILES[H]/N=C(/CC(C)CC=C)C(C)N
InChIInChI=1S/C9H18N2/c1-4-5-7(2)6-9(11)8(3)10/h4,7-8,11H,1,5-6,10H2,2-3H3/b11-9-
InChIKeyISLODYTUTRAUBU-LUAWRHEFSA-N
XLogP1.96
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-imino-5-methyloct-7-en-2-amine?
The IUPAC name of 3-imino-5-methyloct-7-en-2-amine (CID 90277713) is 3-imino-5-methyloct-7-en-2-amine.
What is the SMILES notation for 3-imino-5-methyloct-7-en-2-amine?
The canonical SMILES for 3-imino-5-methyloct-7-en-2-amine is [H]/N=C(/CC(C)CC=C)C(C)N.
What is the InChIKey of 3-imino-5-methyloct-7-en-2-amine?
The InChIKey is ISLODYTUTRAUBU-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-7(2)6-9(11)8(3)10/h4,7-8,11H,1,5-6,10H2,2-3H3/b11-9-.
What are the key properties of 3-imino-5-methyloct-7-en-2-amine?
3-imino-5-methyloct-7-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-methyloct-7-en-2-amine is sourced from PubChem (CID 90277713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).