(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine

C11H19N3 — CID 89209869

IUPAC(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine
SMILESC=CC(=C)/C(=C\C(=C/N)C(C)C)NN
InChIInChI=1S/C11H19N3/c1-5-9(4)11(14-13)6-10(7-12)8(2)3/h5-8,14H,1,4,12-13H2,2-3H3/b10-7+,11-6+
InChIKeyAHHAOZJYTWYSPV-NXAIOARDSA-N
MW193.29 g/mol
LogP1.57
Rot. Bonds5

About (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine

(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine (PubChem CID 89209869) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine
PubChem CID89209869
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine
SMILESC=CC(=C)/C(=C\C(=C/N)C(C)C)NN
InChIInChI=1S/C11H19N3/c1-5-9(4)11(14-13)6-10(7-12)8(2)3/h5-8,14H,1,4,12-13H2,2-3H3/b10-7+,11-6+
InChIKeyAHHAOZJYTWYSPV-NXAIOARDSA-N
XLogP1.57
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.57
H-Bond Donors ≤ 53
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 (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine?
The IUPAC name of (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine (CID 89209869) is (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine.
What is the SMILES notation for (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine?
The canonical SMILES for (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine is C=CC(=C)/C(=C\C(=C/N)C(C)C)NN.
What is the InChIKey of (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine?
The InChIKey is AHHAOZJYTWYSPV-NXAIOARDSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-9(4)11(14-13)6-10(7-12)8(2)3/h5-8,14H,1,4,12-13H2,2-3H3/b10-7+,11-6+.
What are the key properties of (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine?
(1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-hydrazinyl-5-methylidene-2-propan-2-ylhepta-1,3,6-trien-1-amine is sourced from PubChem (CID 89209869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).