(Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine

C8H15N3 — CID 144888825

IUPAC(Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine
SMILES[H]/N=C/C(N)C(/C=C\C)/C(C)=N/[H]
InChIInChI=1S/C8H15N3/c1-3-4-7(6(2)10)8(11)5-9/h3-5,7-10H,11H2,1-2H3/b4-3-,9-5+,10-6+
InChIKeyCPJBXUIZRAHNCQ-YFZPFDGNSA-N
MW153.23 g/mol
LogP1.20
Rot. Bonds4

About (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine

(Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine (PubChem CID 144888825) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine.

Molecular Properties

Compound Name(Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine
PubChem CID144888825
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine
SMILES[H]/N=C/C(N)C(/C=C\C)/C(C)=N/[H]
InChIInChI=1S/C8H15N3/c1-3-4-7(6(2)10)8(11)5-9/h3-5,7-10H,11H2,1-2H3/b4-3-,9-5+,10-6+
InChIKeyCPJBXUIZRAHNCQ-YFZPFDGNSA-N
XLogP1.20
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine?
The IUPAC name of (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine (CID 144888825) is (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine.
What is the SMILES notation for (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine?
The canonical SMILES for (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine is [H]/N=C/C(N)C(/C=C\C)/C(C)=N/[H].
What is the InChIKey of (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine?
The InChIKey is CPJBXUIZRAHNCQ-YFZPFDGNSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-7(6(2)10)8(11)5-9/h3-5,7-10H,11H2,1-2H3/b4-3-,9-5+,10-6+.
What are the key properties of (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine?
(Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine has a molecular weight of 153.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethanimidoyl-1-iminohex-4-en-2-amine is sourced from PubChem (CID 144888825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).