(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine

C11H19N3 — CID 89275770

IUPAC(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C(\N)=C/C)/N1CCCNC1
InChIInChI=1S/C11H19N3/c1-3-6-11(10(12)4-2)14-8-5-7-13-9-14/h3-4,6,13H,1,5,7-9,12H2,2H3/b10-4+,11-6+
InChIKeyYFFCDWJPXDWRIP-MCIRJAFSSA-N
MW193.29 g/mol
LogP1.17
Rot. Bonds3

About (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine

(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine (PubChem CID 89275770) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine
PubChem CID89275770
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C(\N)=C/C)/N1CCCNC1
InChIInChI=1S/C11H19N3/c1-3-6-11(10(12)4-2)14-8-5-7-13-9-14/h3-4,6,13H,1,5,7-9,12H2,2H3/b10-4+,11-6+
InChIKeyYFFCDWJPXDWRIP-MCIRJAFSSA-N
XLogP1.17
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine (CID 89275770) is (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine is C=C/C=C(C(\N)=C/C)/N1CCCNC1.
What is the InChIKey of (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine?
The InChIKey is YFFCDWJPXDWRIP-MCIRJAFSSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-6-11(10(12)4-2)14-8-5-7-13-9-14/h3-4,6,13H,1,5,7-9,12H2,2H3/b10-4+,11-6+.
What are the key properties of (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine?
(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 89275770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).