(4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine

C7H15N3 — CID 126733958

IUPAC(4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine
SMILESC=C(N)C(/C=C/C)NNC
InChIInChI=1S/C7H15N3/c1-4-5-7(6(2)8)10-9-3/h4-5,7,9-10H,2,8H2,1,3H3/b5-4+
InChIKeyJVEJBFSXNDTAGF-SNAWJCMRSA-N
MW141.22 g/mol
LogP0.13
Rot. Bonds4

About (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine

(4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine (PubChem CID 126733958) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine
PubChem CID126733958
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine
SMILESC=C(N)C(/C=C/C)NNC
InChIInChI=1S/C7H15N3/c1-4-5-7(6(2)8)10-9-3/h4-5,7,9-10H,2,8H2,1,3H3/b5-4+
InChIKeyJVEJBFSXNDTAGF-SNAWJCMRSA-N
XLogP0.13
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine?
The IUPAC name of (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine (CID 126733958) is (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine.
What is the SMILES notation for (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine?
The canonical SMILES for (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine is C=C(N)C(/C=C/C)NNC.
What is the InChIKey of (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine?
The InChIKey is JVEJBFSXNDTAGF-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-5-7(6(2)8)10-9-3/h4-5,7,9-10H,2,8H2,1,3H3/b5-4+.
What are the key properties of (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine?
(4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine has a molecular weight of 141.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-(2-methylhydrazinyl)hexa-1,4-dien-2-amine is sourced from PubChem (CID 126733958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).