N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline

C13H16N2 — CID 118971104

IUPACN-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline
SMILESC=C(CNc1ccccc1)/N=C/C=C\C
InChIInChI=1S/C13H16N2/c1-3-4-10-14-12(2)11-15-13-8-6-5-7-9-13/h3-10,15H,2,11H2,1H3/b4-3-,14-10+
InChIKeyGAOMHHVMNLUBPA-QKKCAOIGSA-N
MW200.28 g/mol
LogP3.26
Rot. Bonds5

About N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline

N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline (PubChem CID 118971104) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline.

Molecular Properties

Compound NameN-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline
PubChem CID118971104
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline
SMILESC=C(CNc1ccccc1)/N=C/C=C\C
InChIInChI=1S/C13H16N2/c1-3-4-10-14-12(2)11-15-13-8-6-5-7-9-13/h3-10,15H,2,11H2,1H3/b4-3-,14-10+
InChIKeyGAOMHHVMNLUBPA-QKKCAOIGSA-N
XLogP3.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-azidoprop-2-enyl)aniline
CID 141405457
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
N-(2-bromoprop-2-enyl)aniline;hydrochloride
CID 45127902
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol
CID 143375419
(Z)-N-benzylbut-2-en-1-imine
CID 141334721
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368
1-anilino-3-phenyliminopropan-2-one
CID 91514500
N-(2-nitroprop-2-enyl)aniline
CID 68795117
N-(3,3-dichloro-2-methylprop-2-enyl)aniline
CID 130006231
N-(2,3-dichloroprop-2-enyl)aniline
CID 79167902
2-anilinoacetic acid;formic acid
CID 174518720

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline?
The IUPAC name of N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline (CID 118971104) is N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline.
What is the SMILES notation for N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline?
The canonical SMILES for N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline is C=C(CNc1ccccc1)/N=C/C=C\C.
What is the InChIKey of N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline?
The InChIKey is GAOMHHVMNLUBPA-QKKCAOIGSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-4-10-14-12(2)11-15-13-8-6-5-7-9-13/h3-10,15H,2,11H2,1H3/b4-3-,14-10+.
What are the key properties of N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline?
N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline has a molecular weight of 200.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline is sourced from PubChem (CID 118971104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).