(3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine

C11H21N3 — CID 144934468

IUPAC(3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine
SMILESC=C/C=C(C(\C)=C/C)/C(CN)NNC
InChIInChI=1S/C11H21N3/c1-5-7-10(9(3)6-2)11(8-12)14-13-4/h5-7,11,13-14H,1,8,12H2,2-4H3/b9-6-,10-7+
InChIKeyJJVIJIXXRWXPQG-PCCLLEMOSA-N
MW195.31 g/mol
LogP1.12
Rot. Bonds6

About (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine

(3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine (PubChem CID 144934468) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine
PubChem CID144934468
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine
SMILESC=C/C=C(C(\C)=C/C)/C(CN)NNC
InChIInChI=1S/C11H21N3/c1-5-7-10(9(3)6-2)11(8-12)14-13-4/h5-7,11,13-14H,1,8,12H2,2-4H3/b9-6-,10-7+
InChIKeyJJVIJIXXRWXPQG-PCCLLEMOSA-N
XLogP1.12
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine?
The IUPAC name of (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine (CID 144934468) is (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine is C=C/C=C(C(\C)=C/C)/C(CN)NNC.
What is the InChIKey of (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine?
The InChIKey is JJVIJIXXRWXPQG-PCCLLEMOSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-7-10(9(3)6-2)11(8-12)14-13-4/h5-7,11,13-14H,1,8,12H2,2-4H3/b9-6-,10-7+.
What are the key properties of (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine?
(3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-but-2-en-2-yl]-2-(2-methylhydrazinyl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 144934468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).