2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine

C12H15N — CID 123455138

IUPAC2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
SMILES[H]/N=C/C(C1=CC1)C1=CC=C(C)CC1
InChIInChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12(8-13)11-6-7-11/h2,4,6,8,12-13H,3,5,7H2,1H3/b13-8+
InChIKeyZDTXWFUWHANORC-MDWZMJQESA-N
MW173.26 g/mol
LogP3.25
Rot. Bonds3

About 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine

2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine (PubChem CID 123455138) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine.

Molecular Properties

Compound Name2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
PubChem CID123455138
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
SMILES[H]/N=C/C(C1=CC1)C1=CC=C(C)CC1
InChIInChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12(8-13)11-6-7-11/h2,4,6,8,12-13H,3,5,7H2,1H3/b13-8+
InChIKeyZDTXWFUWHANORC-MDWZMJQESA-N
XLogP3.25
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
The IUPAC name of 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine (CID 123455138) is 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine.
What is the SMILES notation for 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
The canonical SMILES for 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine is [H]/N=C/C(C1=CC1)C1=CC=C(C)CC1.
What is the InChIKey of 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
The InChIKey is ZDTXWFUWHANORC-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12(8-13)11-6-7-11/h2,4,6,8,12-13H,3,5,7H2,1H3/b13-8+.
What are the key properties of 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine has a molecular weight of 173.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropen-1-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine is sourced from PubChem (CID 123455138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).