4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline

C14H22N4 — CID 167105801

IUPAC4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline
SMILESC=CCCC(C)NC(=C)c1ccc(N)cc1NN
InChIInChI=1S/C14H22N4/c1-4-5-6-10(2)17-11(3)13-8-7-12(15)9-14(13)18-16/h4,7-10,17-18H,1,3,5-6,15-16H2,2H3
InChIKeyXCXMNSYBSMXJBK-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.47
Rot. Bonds7

About 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline

4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline (PubChem CID 167105801) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline.

Molecular Properties

Compound Name4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline
PubChem CID167105801
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline
SMILESC=CCCC(C)NC(=C)c1ccc(N)cc1NN
InChIInChI=1S/C14H22N4/c1-4-5-6-10(2)17-11(3)13-8-7-12(15)9-14(13)18-16/h4,7-10,17-18H,1,3,5-6,15-16H2,2H3
InChIKeyXCXMNSYBSMXJBK-UHFFFAOYSA-N
XLogP2.47
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline?
The IUPAC name of 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline (CID 167105801) is 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline.
What is the SMILES notation for 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline?
The canonical SMILES for 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline is C=CCCC(C)NC(=C)c1ccc(N)cc1NN.
What is the InChIKey of 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline?
The InChIKey is XCXMNSYBSMXJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-5-6-10(2)17-11(3)13-8-7-12(15)9-14(13)18-16/h4,7-10,17-18H,1,3,5-6,15-16H2,2H3.
What are the key properties of 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline?
4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline has a molecular weight of 246.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(hex-5-en-2-ylamino)ethenyl]-3-hydrazinylaniline is sourced from PubChem (CID 167105801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).