(2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine

C11H21N3 — CID 138534956

IUPAC(2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine
SMILESCCCN(N)/C(C)=C/C=C\C=C(/C)N
InChIInChI=1S/C11H21N3/c1-4-9-14(13)11(3)8-6-5-7-10(2)12/h5-8H,4,9,12-13H2,1-3H3/b6-5-,10-7+,11-8+
InChIKeyQQQVRHQHTPHXSH-HKAXXRRESA-N
MW195.31 g/mol
LogP1.89
Rot. Bonds5

About (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine

(2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine (PubChem CID 138534956) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine
PubChem CID138534956
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine
SMILESCCCN(N)/C(C)=C/C=C\C=C(/C)N
InChIInChI=1S/C11H21N3/c1-4-9-14(13)11(3)8-6-5-7-10(2)12/h5-8H,4,9,12-13H2,1-3H3/b6-5-,10-7+,11-8+
InChIKeyQQQVRHQHTPHXSH-HKAXXRRESA-N
XLogP1.89
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine (CID 138534956) is (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine is CCCN(N)/C(C)=C/C=C\C=C(/C)N.
What is the InChIKey of (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine?
The InChIKey is QQQVRHQHTPHXSH-HKAXXRRESA-N. The full InChI is InChI=1S/C11H21N3/c1-4-9-14(13)11(3)8-6-5-7-10(2)12/h5-8H,4,9,12-13H2,1-3H3/b6-5-,10-7+,11-8+.
What are the key properties of (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine?
(2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-7-[amino(propyl)amino]octa-2,4,6-trien-2-amine is sourced from PubChem (CID 138534956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).