3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline

C12H17N3 — CID 175597593

IUPAC3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline
SMILESC=CCN(CC=C)Nc1cccc(N)c1
InChIInChI=1S/C12H17N3/c1-3-8-15(9-4-2)14-12-7-5-6-11(13)10-12/h3-7,10,14H,1-2,8-9,13H2
InChIKeyCHOCCTJKLTWLJS-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.27
Rot. Bonds6

About 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline

3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline (PubChem CID 175597593) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline.

Molecular Properties

Compound Name3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline
PubChem CID175597593
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline
SMILESC=CCN(CC=C)Nc1cccc(N)c1
InChIInChI=1S/C12H17N3/c1-3-8-15(9-4-2)14-12-7-5-6-11(13)10-12/h3-7,10,14H,1-2,8-9,13H2
InChIKeyCHOCCTJKLTWLJS-UHFFFAOYSA-N
XLogP2.27
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-bis(prop-2-enyl)benzene-1,3-diamine
CID 70485777
N-amino-N-(3-aminoanilino)formamide
CID 57040501
3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
CID 115563307
3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
CID 12040476
1-fluoro-2-phenyl-1-prop-2-enylhydrazine;hydrochloride
CID 174494914
3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
3-[(3-aminophenyl)methyl-prop-2-enylamino]prop-1-en-2-ol
CID 89159576
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-N-[(3Z)-hexa-3,5-dien-2-yl]benzene-1,3-diamine
CID 170336207
benzene-1,3-diamine
CID 7935
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline?
The IUPAC name of 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline (CID 175597593) is 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline.
What is the SMILES notation for 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline?
The canonical SMILES for 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline is C=CCN(CC=C)Nc1cccc(N)c1.
What is the InChIKey of 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline?
The InChIKey is CHOCCTJKLTWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-8-15(9-4-2)14-12-7-5-6-11(13)10-12/h3-7,10,14H,1-2,8-9,13H2.
What are the key properties of 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline?
3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline has a molecular weight of 203.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-bis(prop-2-enyl)hydrazinyl]aniline is sourced from PubChem (CID 175597593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).