2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline

C12H16N2 — CID 169241549

IUPAC2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline
SMILESCc1ccc(N)c(/C=C(\N)C2CC2)c1
InChIInChI=1S/C12H16N2/c1-8-2-5-11(13)10(6-8)7-12(14)9-3-4-9/h2,5-7,9H,3-4,13-14H2,1H3/b12-7-
InChIKeyRYJJOAKNSSEKGB-GHXNOFRVSA-N
MW188.27 g/mol
LogP2.29
Rot. Bonds2

About 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline

2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline (PubChem CID 169241549) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline
PubChem CID169241549
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline
SMILESCc1ccc(N)c(/C=C(\N)C2CC2)c1
InChIInChI=1S/C12H16N2/c1-8-2-5-11(13)10(6-8)7-12(14)9-3-4-9/h2,5-7,9H,3-4,13-14H2,1H3/b12-7-
InChIKeyRYJJOAKNSSEKGB-GHXNOFRVSA-N
XLogP2.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline?
The IUPAC name of 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline (CID 169241549) is 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline.
What is the SMILES notation for 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline?
The canonical SMILES for 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline is Cc1ccc(N)c(/C=C(\N)C2CC2)c1.
What is the InChIKey of 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline?
The InChIKey is RYJJOAKNSSEKGB-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-2-5-11(13)10(6-8)7-12(14)9-3-4-9/h2,5-7,9H,3-4,13-14H2,1H3/b12-7-.
What are the key properties of 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline?
2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline has a molecular weight of 188.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline is sourced from PubChem (CID 169241549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).