(3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine

C13H19N3 — CID 89424278

IUPAC(3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine
SMILESC=C/C=C\C=C/C(=C)N(N)/C(C)=C\C(=C)N
InChIInChI=1S/C13H19N3/c1-5-6-7-8-9-12(3)16(15)13(4)10-11(2)14/h5-10H,1-3,14-15H2,4H3/b7-6-,9-8-,13-10-
InChIKeySFGNEEBNBYSENA-GFVAWKPRSA-N
MW217.32 g/mol
LogP2.35
Rot. Bonds6

About (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine

(3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine (PubChem CID 89424278) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine
PubChem CID89424278
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine
SMILESC=C/C=C\C=C/C(=C)N(N)/C(C)=C\C(=C)N
InChIInChI=1S/C13H19N3/c1-5-6-7-8-9-12(3)16(15)13(4)10-11(2)14/h5-10H,1-3,14-15H2,4H3/b7-6-,9-8-,13-10-
InChIKeySFGNEEBNBYSENA-GFVAWKPRSA-N
XLogP2.35
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.35
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 (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine (CID 89424278) is (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine is C=C/C=C\C=C/C(=C)N(N)/C(C)=C\C(=C)N.
What is the InChIKey of (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine?
The InChIKey is SFGNEEBNBYSENA-GFVAWKPRSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-6-7-8-9-12(3)16(15)13(4)10-11(2)14/h5-10H,1-3,14-15H2,4H3/b7-6-,9-8-,13-10-.
What are the key properties of (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine?
(3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[amino-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]amino]penta-1,3-dien-2-amine is sourced from PubChem (CID 89424278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).