hepta-2,5-diene-1,7-diamine

C7H14N2 — CID 56638039

IUPAChepta-2,5-diene-1,7-diamine
SMILESNCC=CCC=CCN
InChIInChI=1S/C7H14N2/c8-6-4-2-1-3-5-7-9/h2-5H,1,6-9H2
InChIKeyXQGMQUVOQWPJCN-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.41
Rot. Bonds4

About hepta-2,5-diene-1,7-diamine

hepta-2,5-diene-1,7-diamine (PubChem CID 56638039) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is hepta-2,5-diene-1,7-diamine.

Molecular Properties

Compound Namehepta-2,5-diene-1,7-diamine
PubChem CID56638039
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namehepta-2,5-diene-1,7-diamine
SMILESNCC=CCC=CCN
InChIInChI=1S/C7H14N2/c8-6-4-2-1-3-5-7-9/h2-5H,1,6-9H2
InChIKeyXQGMQUVOQWPJCN-UHFFFAOYSA-N
XLogP0.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.41
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 hepta-2,5-diene-1,7-diamine?
The IUPAC name of hepta-2,5-diene-1,7-diamine (CID 56638039) is hepta-2,5-diene-1,7-diamine.
What is the SMILES notation for hepta-2,5-diene-1,7-diamine?
The canonical SMILES for hepta-2,5-diene-1,7-diamine is NCC=CCC=CCN.
What is the InChIKey of hepta-2,5-diene-1,7-diamine?
The InChIKey is XQGMQUVOQWPJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-6-4-2-1-3-5-7-9/h2-5H,1,6-9H2.
What are the key properties of hepta-2,5-diene-1,7-diamine?
hepta-2,5-diene-1,7-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-2,5-diene-1,7-diamine is sourced from PubChem (CID 56638039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).