(2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine

C13H19N3 — CID 118641927

IUPAC(2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)C(N)NNCC1C=CC=C1
InChIInChI=1S/C13H19N3/c1-3-7-12(4-2)13(14)16-15-10-11-8-5-6-9-11/h3-9,11,13,15-16H,1-2,10,14H2/b12-7+
InChIKeyDNYFPHREQJCUBV-KPKJPENVSA-N
MW217.32 g/mol
LogP1.41
Rot. Bonds7

About (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine

(2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine (PubChem CID 118641927) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine
PubChem CID118641927
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)C(N)NNCC1C=CC=C1
InChIInChI=1S/C13H19N3/c1-3-7-12(4-2)13(14)16-15-10-11-8-5-6-9-11/h3-9,11,13,15-16H,1-2,10,14H2/b12-7+
InChIKeyDNYFPHREQJCUBV-KPKJPENVSA-N
XLogP1.41
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine (CID 118641927) is (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine is C=C/C=C(\C=C)C(N)NNCC1C=CC=C1.
What is the InChIKey of (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine?
The InChIKey is DNYFPHREQJCUBV-KPKJPENVSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-7-12(4-2)13(14)16-15-10-11-8-5-6-9-11/h3-9,11,13,15-16H,1-2,10,14H2/b12-7+.
What are the key properties of (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine?
(2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine has a molecular weight of 217.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[2-(cyclopenta-2,4-dien-1-ylmethyl)hydrazinyl]-2-ethenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 118641927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).