5-methylnon-4-ene-1,9-diamine

C10H22N2 — CID 57003418

IUPAC5-methylnon-4-ene-1,9-diamine
SMILESCC(=CCCCN)CCCCN
InChIInChI=1S/C10H22N2/c1-10(6-2-4-8-11)7-3-5-9-12/h6H,2-5,7-9,11-12H2,1H3
InChIKeyCBFBFRCAZKNJIZ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.80
Rot. Bonds7

About 5-methylnon-4-ene-1,9-diamine

5-methylnon-4-ene-1,9-diamine (PubChem CID 57003418) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 5-methylnon-4-ene-1,9-diamine.

Molecular Properties

Compound Name5-methylnon-4-ene-1,9-diamine
PubChem CID57003418
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name5-methylnon-4-ene-1,9-diamine
SMILESCC(=CCCCN)CCCCN
InChIInChI=1S/C10H22N2/c1-10(6-2-4-8-11)7-3-5-9-12/h6H,2-5,7-9,11-12H2,1H3
InChIKeyCBFBFRCAZKNJIZ-UHFFFAOYSA-N
XLogP1.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylnon-4-ene-1,9-diamine?
The IUPAC name of 5-methylnon-4-ene-1,9-diamine (CID 57003418) is 5-methylnon-4-ene-1,9-diamine.
What is the SMILES notation for 5-methylnon-4-ene-1,9-diamine?
The canonical SMILES for 5-methylnon-4-ene-1,9-diamine is CC(=CCCCN)CCCCN.
What is the InChIKey of 5-methylnon-4-ene-1,9-diamine?
The InChIKey is CBFBFRCAZKNJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(6-2-4-8-11)7-3-5-9-12/h6H,2-5,7-9,11-12H2,1H3.
What are the key properties of 5-methylnon-4-ene-1,9-diamine?
5-methylnon-4-ene-1,9-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnon-4-ene-1,9-diamine is sourced from PubChem (CID 57003418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).