4-ethylideneheptane-1,7-diamine

C9H20N2 — CID 54562398

IUPAC4-ethylideneheptane-1,7-diamine
SMILESCC=C(CCCN)CCCN
InChIInChI=1S/C9H20N2/c1-2-9(5-3-7-10)6-4-8-11/h2H,3-8,10-11H2,1H3
InChIKeyZRLYNMHAASNYIO-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.41
Rot. Bonds6

About 4-ethylideneheptane-1,7-diamine

4-ethylideneheptane-1,7-diamine (PubChem CID 54562398) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-ethylideneheptane-1,7-diamine.

Molecular Properties

Compound Name4-ethylideneheptane-1,7-diamine
PubChem CID54562398
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-ethylideneheptane-1,7-diamine
SMILESCC=C(CCCN)CCCN
InChIInChI=1S/C9H20N2/c1-2-9(5-3-7-10)6-4-8-11/h2H,3-8,10-11H2,1H3
InChIKeyZRLYNMHAASNYIO-UHFFFAOYSA-N
XLogP1.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylideneheptane-1,7-diamine?
The IUPAC name of 4-ethylideneheptane-1,7-diamine (CID 54562398) is 4-ethylideneheptane-1,7-diamine.
What is the SMILES notation for 4-ethylideneheptane-1,7-diamine?
The canonical SMILES for 4-ethylideneheptane-1,7-diamine is CC=C(CCCN)CCCN.
What is the InChIKey of 4-ethylideneheptane-1,7-diamine?
The InChIKey is ZRLYNMHAASNYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-9(5-3-7-10)6-4-8-11/h2H,3-8,10-11H2,1H3.
What are the key properties of 4-ethylideneheptane-1,7-diamine?
4-ethylideneheptane-1,7-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylideneheptane-1,7-diamine is sourced from PubChem (CID 54562398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).