(1E,3E)-hexa-1,3,5-trien-1-amine

C6H9N — CID 19883152

IUPAC(1E,3E)-hexa-1,3,5-trien-1-amine
SMILESC=C/C=C/C=C/N
InChIInChI=1S/C6H9N/c1-2-3-4-5-6-7/h2-6H,1,7H2/b4-3+,6-5+
InChIKeyLUGGQBCOTDQVME-VNKDHWASSA-N
MW95.14 g/mol
LogP1.20
Rot. Bonds2

About (1E,3E)-hexa-1,3,5-trien-1-amine

(1E,3E)-hexa-1,3,5-trien-1-amine (PubChem CID 19883152) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (1E,3E)-hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-hexa-1,3,5-trien-1-amine
PubChem CID19883152
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(1E,3E)-hexa-1,3,5-trien-1-amine
SMILESC=C/C=C/C=C/N
InChIInChI=1S/C6H9N/c1-2-3-4-5-6-7/h2-6H,1,7H2/b4-3+,6-5+
InChIKeyLUGGQBCOTDQVME-VNKDHWASSA-N
XLogP1.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-hexa-1,3,5-trien-1-amine (CID 19883152) is (1E,3E)-hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-hexa-1,3,5-trien-1-amine is C=C/C=C/C=C/N.
What is the InChIKey of (1E,3E)-hexa-1,3,5-trien-1-amine?
The InChIKey is LUGGQBCOTDQVME-VNKDHWASSA-N. The full InChI is InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2-6H,1,7H2/b4-3+,6-5+.
What are the key properties of (1E,3E)-hexa-1,3,5-trien-1-amine?
(1E,3E)-hexa-1,3,5-trien-1-amine has a molecular weight of 95.14 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 19883152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).