N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline

C12H16N2 — CID 146244733

IUPACN-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline
SMILES[H]/N=C/C(Nc1cccc(C)c1)=C(C)C
InChIInChI=1S/C12H16N2/c1-9(2)12(8-13)14-11-6-4-5-10(3)7-11/h4-8,13-14H,1-3H3/b13-8+
InChIKeyDQAAEYBIXWBSKY-MDWZMJQESA-N
MW188.27 g/mol
LogP3.35
Rot. Bonds3

About N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline

N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline (PubChem CID 146244733) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline.

Molecular Properties

Compound NameN-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline
PubChem CID146244733
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline
SMILES[H]/N=C/C(Nc1cccc(C)c1)=C(C)C
InChIInChI=1S/C12H16N2/c1-9(2)12(8-13)14-11-6-4-5-10(3)7-11/h4-8,13-14H,1-3H3/b13-8+
InChIKeyDQAAEYBIXWBSKY-MDWZMJQESA-N
XLogP3.35
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-bromo-4-imino-3-methyl-N-(3-methylphenyl)but-2-enamide
CID 143713446
N-(3-methylphenyl)acetamide
CID 10843
N-(3-methylphenyl)hex-4-ynamide
CID 71177408
3-(3-methylanilino)but-2-enenitrile
CID 69352356
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-ethenyl-3-methylaniline
CID 69480469
methyl (Z)-3-(3-methylanilino)but-2-enoate
CID 129322620
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-anilino-3-(3-methylphenyl)thiourea
CID 8619974
2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
CID 155713746
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671

Frequently Asked Questions

What is the IUPAC name of N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline?
The IUPAC name of N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline (CID 146244733) is N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline.
What is the SMILES notation for N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline?
The canonical SMILES for N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline is [H]/N=C/C(Nc1cccc(C)c1)=C(C)C.
What is the InChIKey of N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline?
The InChIKey is DQAAEYBIXWBSKY-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)12(8-13)14-11-6-4-5-10(3)7-11/h4-8,13-14H,1-3H3/b13-8+.
What are the key properties of N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline?
N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline has a molecular weight of 188.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imino-3-methylbut-2-en-2-yl)-3-methylaniline is sourced from PubChem (CID 146244733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).