N-[(Z)-4-methyliminopent-2-en-2-yl]aniline

C12H16N2 — CID 23579015

IUPACN-[(Z)-4-methyliminopent-2-en-2-yl]aniline
SMILESC/N=C(C)/C=C(/C)Nc1ccccc1
InChIInChI=1S/C12H16N2/c1-10(13-3)9-11(2)14-12-7-5-4-6-8-12/h4-9,14H,1-3H3/b11-9-,13-10+
InChIKeyUXAUDIIUVFCGMR-SZJZEYKYSA-N
MW188.27 g/mol
LogP3.09
Rot. Bonds3

About N-[(Z)-4-methyliminopent-2-en-2-yl]aniline

N-[(Z)-4-methyliminopent-2-en-2-yl]aniline (PubChem CID 23579015) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(Z)-4-methyliminopent-2-en-2-yl]aniline.

Molecular Properties

Compound NameN-[(Z)-4-methyliminopent-2-en-2-yl]aniline
PubChem CID23579015
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(Z)-4-methyliminopent-2-en-2-yl]aniline
SMILESC/N=C(C)/C=C(/C)Nc1ccccc1
InChIInChI=1S/C12H16N2/c1-10(13-3)9-11(2)14-12-7-5-4-6-8-12/h4-9,14H,1-3H3/b11-9-,13-10+
InChIKeyUXAUDIIUVFCGMR-SZJZEYKYSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.09
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

(E)-3-anilinobut-2-enoic acid
CID 89350388
N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
CID 144792170
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline
CID 143656340
(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
CID 7707922
(E)-3-(4-methylanilino)-N-phenylbut-2-enethioamide
CID 171977784
3-anilino-N-(4-methylphenyl)but-2-enethioamide
CID 71350568
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
N-(N'-methyl-N-phenylcarbamimidoyl)acetamide
CID 57075096
cobalt;N-phenylacetamide
CID 158689050
N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline
CID 177423131
(E)-1-phenyl-3-(4-phenyldiazenylanilino)but-2-en-1-one
CID 39428563
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyliminopent-2-en-2-yl]aniline?
The IUPAC name of N-[(Z)-4-methyliminopent-2-en-2-yl]aniline (CID 23579015) is N-[(Z)-4-methyliminopent-2-en-2-yl]aniline.
What is the SMILES notation for N-[(Z)-4-methyliminopent-2-en-2-yl]aniline?
The canonical SMILES for N-[(Z)-4-methyliminopent-2-en-2-yl]aniline is C/N=C(C)/C=C(/C)Nc1ccccc1.
What is the InChIKey of N-[(Z)-4-methyliminopent-2-en-2-yl]aniline?
The InChIKey is UXAUDIIUVFCGMR-SZJZEYKYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10(13-3)9-11(2)14-12-7-5-4-6-8-12/h4-9,14H,1-3H3/b11-9-,13-10+.
What are the key properties of N-[(Z)-4-methyliminopent-2-en-2-yl]aniline?
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline has a molecular weight of 188.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyliminopent-2-en-2-yl]aniline is sourced from PubChem (CID 23579015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).