(3Z,5E)-hepta-3,5-diene-2,5-diamine

C7H14N2 — CID 129288631

IUPAC(3Z,5E)-hepta-3,5-diene-2,5-diamine
SMILESC/C=C(N)\C=C/C(C)N
InChIInChI=1S/C7H14N2/c1-3-7(9)5-4-6(2)8/h3-6H,8-9H2,1-2H3/b5-4-,7-3+
InChIKeyDFHAVHQKLOXRPO-SBYNAHCQSA-N
MW126.20 g/mol
LogP0.75
Rot. Bonds2

About (3Z,5E)-hepta-3,5-diene-2,5-diamine

(3Z,5E)-hepta-3,5-diene-2,5-diamine (PubChem CID 129288631) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (3Z,5E)-hepta-3,5-diene-2,5-diamine.

Molecular Properties

Compound Name(3Z,5E)-hepta-3,5-diene-2,5-diamine
PubChem CID129288631
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(3Z,5E)-hepta-3,5-diene-2,5-diamine
SMILESC/C=C(N)\C=C/C(C)N
InChIInChI=1S/C7H14N2/c1-3-7(9)5-4-6(2)8/h3-6H,8-9H2,1-2H3/b5-4-,7-3+
InChIKeyDFHAVHQKLOXRPO-SBYNAHCQSA-N
XLogP0.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-hepta-3,5-diene-2,5-diamine?
The IUPAC name of (3Z,5E)-hepta-3,5-diene-2,5-diamine (CID 129288631) is (3Z,5E)-hepta-3,5-diene-2,5-diamine.
What is the SMILES notation for (3Z,5E)-hepta-3,5-diene-2,5-diamine?
The canonical SMILES for (3Z,5E)-hepta-3,5-diene-2,5-diamine is C/C=C(N)\C=C/C(C)N.
What is the InChIKey of (3Z,5E)-hepta-3,5-diene-2,5-diamine?
The InChIKey is DFHAVHQKLOXRPO-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7(9)5-4-6(2)8/h3-6H,8-9H2,1-2H3/b5-4-,7-3+.
What are the key properties of (3Z,5E)-hepta-3,5-diene-2,5-diamine?
(3Z,5E)-hepta-3,5-diene-2,5-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-hepta-3,5-diene-2,5-diamine is sourced from PubChem (CID 129288631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).