2-methanimidoyl-3-prop-1-en-2-ylaniline

C10H12N2 — CID 169152001

IUPAC2-methanimidoyl-3-prop-1-en-2-ylaniline
SMILES[H]/N=C/c1c(N)cccc1C(=C)C
InChIInChI=1S/C10H12N2/c1-7(2)8-4-3-5-10(12)9(8)6-11/h3-6,11H,1,12H2,2H3/b11-6+
InChIKeyUODYROWVTVQZMQ-IZZDOVSWSA-N
MW160.22 g/mol
LogP2.30
Rot. Bonds2

About 2-methanimidoyl-3-prop-1-en-2-ylaniline

2-methanimidoyl-3-prop-1-en-2-ylaniline (PubChem CID 169152001) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methanimidoyl-3-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name2-methanimidoyl-3-prop-1-en-2-ylaniline
PubChem CID169152001
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-methanimidoyl-3-prop-1-en-2-ylaniline
SMILES[H]/N=C/c1c(N)cccc1C(=C)C
InChIInChI=1S/C10H12N2/c1-7(2)8-4-3-5-10(12)9(8)6-11/h3-6,11H,1,12H2,2H3/b11-6+
InChIKeyUODYROWVTVQZMQ-IZZDOVSWSA-N
XLogP2.30
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoylbenzene-1,3-diamine
CID 88563224
3-prop-1-en-2-ylbenzene-1,2-diamine
CID 19760771
3-iodo-2-methanimidoylaniline
CID 147995375
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
CID 145060284
N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
CID 156811982
[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine
CID 166874365
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
1-(4-amino-3-methanimidoyl-2-methylanilino)ethenethiol
CID 134297782
2,3-bis(prop-1-en-2-yl)phenol
CID 68747547
6-(3-amino-2-methanimidoylphenyl)pyridine-2-carbothioamide
CID 145401444
2-methanimidoyl-3-(4-methylsulfanylpiperazin-1-yl)aniline
CID 145076040
3-chloro-2-methanimidoyl-4-methylaniline
CID 89070323

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-3-prop-1-en-2-ylaniline?
The IUPAC name of 2-methanimidoyl-3-prop-1-en-2-ylaniline (CID 169152001) is 2-methanimidoyl-3-prop-1-en-2-ylaniline.
What is the SMILES notation for 2-methanimidoyl-3-prop-1-en-2-ylaniline?
The canonical SMILES for 2-methanimidoyl-3-prop-1-en-2-ylaniline is [H]/N=C/c1c(N)cccc1C(=C)C.
What is the InChIKey of 2-methanimidoyl-3-prop-1-en-2-ylaniline?
The InChIKey is UODYROWVTVQZMQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)8-4-3-5-10(12)9(8)6-11/h3-6,11H,1,12H2,2H3/b11-6+.
What are the key properties of 2-methanimidoyl-3-prop-1-en-2-ylaniline?
2-methanimidoyl-3-prop-1-en-2-ylaniline has a molecular weight of 160.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-3-prop-1-en-2-ylaniline is sourced from PubChem (CID 169152001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).