(7Z)-8-methoxynona-1,7-diene-4,6-diamine

C10H20N2O — CID 165085164

IUPAC(7Z)-8-methoxynona-1,7-diene-4,6-diamine
SMILESC=CCC(N)CC(N)/C=C(/C)OC
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)7-10(12)6-8(2)13-3/h4,6,9-10H,1,5,7,11-12H2,2-3H3/b8-6-
InChIKeyVTYMMNSOOAZUPA-VURMDHGXSA-N
MW184.28 g/mol
LogP1.16
Rot. Bonds6

About (7Z)-8-methoxynona-1,7-diene-4,6-diamine

(7Z)-8-methoxynona-1,7-diene-4,6-diamine (PubChem CID 165085164) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (7Z)-8-methoxynona-1,7-diene-4,6-diamine.

Molecular Properties

Compound Name(7Z)-8-methoxynona-1,7-diene-4,6-diamine
PubChem CID165085164
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(7Z)-8-methoxynona-1,7-diene-4,6-diamine
SMILESC=CCC(N)CC(N)/C=C(/C)OC
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)7-10(12)6-8(2)13-3/h4,6,9-10H,1,5,7,11-12H2,2-3H3/b8-6-
InChIKeyVTYMMNSOOAZUPA-VURMDHGXSA-N
XLogP1.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7Z)-8-methoxynona-1,7-diene-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7Z)-8-methoxynona-1,7-diene-4,6-diamine?
The IUPAC name of (7Z)-8-methoxynona-1,7-diene-4,6-diamine (CID 165085164) is (7Z)-8-methoxynona-1,7-diene-4,6-diamine.
What is the SMILES notation for (7Z)-8-methoxynona-1,7-diene-4,6-diamine?
The canonical SMILES for (7Z)-8-methoxynona-1,7-diene-4,6-diamine is C=CCC(N)CC(N)/C=C(/C)OC.
What is the InChIKey of (7Z)-8-methoxynona-1,7-diene-4,6-diamine?
The InChIKey is VTYMMNSOOAZUPA-VURMDHGXSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-9(11)7-10(12)6-8(2)13-3/h4,6,9-10H,1,5,7,11-12H2,2-3H3/b8-6-.
What are the key properties of (7Z)-8-methoxynona-1,7-diene-4,6-diamine?
(7Z)-8-methoxynona-1,7-diene-4,6-diamine has a molecular weight of 184.28 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-8-methoxynona-1,7-diene-4,6-diamine is sourced from PubChem (CID 165085164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).