(3E)-octa-1,3-diene-1,1-diamine

C8H16N2 — CID 19899535

IUPAC(3E)-octa-1,3-diene-1,1-diamine
SMILESCCCC/C=C/C=C(N)N
InChIInChI=1S/C8H16N2/c1-2-3-4-5-6-7-8(9)10/h5-7H,2-4,9-10H2,1H3/b6-5+
InChIKeyHVQVICSYOXGSIZ-AATRIKPKSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds4

About (3E)-octa-1,3-diene-1,1-diamine

(3E)-octa-1,3-diene-1,1-diamine (PubChem CID 19899535) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-octa-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(3E)-octa-1,3-diene-1,1-diamine
PubChem CID19899535
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3E)-octa-1,3-diene-1,1-diamine
SMILESCCCC/C=C/C=C(N)N
InChIInChI=1S/C8H16N2/c1-2-3-4-5-6-7-8(9)10/h5-7H,2-4,9-10H2,1H3/b6-5+
InChIKeyHVQVICSYOXGSIZ-AATRIKPKSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-octa-1,3-diene-1,1-diamine?
The IUPAC name of (3E)-octa-1,3-diene-1,1-diamine (CID 19899535) is (3E)-octa-1,3-diene-1,1-diamine.
What is the SMILES notation for (3E)-octa-1,3-diene-1,1-diamine?
The canonical SMILES for (3E)-octa-1,3-diene-1,1-diamine is CCCC/C=C/C=C(N)N.
What is the InChIKey of (3E)-octa-1,3-diene-1,1-diamine?
The InChIKey is HVQVICSYOXGSIZ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-4-5-6-7-8(9)10/h5-7H,2-4,9-10H2,1H3/b6-5+.
What are the key properties of (3E)-octa-1,3-diene-1,1-diamine?
(3E)-octa-1,3-diene-1,1-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-octa-1,3-diene-1,1-diamine is sourced from PubChem (CID 19899535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).