[2-(methyliminomethyl)cyclohexen-1-yl]methanimine

C9H14N2 — CID 118944704

IUPAC[2-(methyliminomethyl)cyclohexen-1-yl]methanimine
SMILES[H]/N=C/C1=C(/C=N/C)CCCC1
InChIInChI=1S/C9H14N2/c1-11-7-9-5-3-2-4-8(9)6-10/h6-7,10H,2-5H2,1H3/b10-6+,11-7+
InChIKeyTWMKRXHPGAUBFC-JMQWPVDRSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds2

About [2-(methyliminomethyl)cyclohexen-1-yl]methanimine

[2-(methyliminomethyl)cyclohexen-1-yl]methanimine (PubChem CID 118944704) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is [2-(methyliminomethyl)cyclohexen-1-yl]methanimine.

Molecular Properties

Compound Name[2-(methyliminomethyl)cyclohexen-1-yl]methanimine
PubChem CID118944704
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name[2-(methyliminomethyl)cyclohexen-1-yl]methanimine
SMILES[H]/N=C/C1=C(/C=N/C)CCCC1
InChIInChI=1S/C9H14N2/c1-11-7-9-5-3-2-4-8(9)6-10/h6-7,10H,2-5H2,1H3/b10-6+,11-7+
InChIKeyTWMKRXHPGAUBFC-JMQWPVDRSA-N
XLogP2.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(methyliminomethyl)cyclohexen-1-yl]methanimine?
The IUPAC name of [2-(methyliminomethyl)cyclohexen-1-yl]methanimine (CID 118944704) is [2-(methyliminomethyl)cyclohexen-1-yl]methanimine.
What is the SMILES notation for [2-(methyliminomethyl)cyclohexen-1-yl]methanimine?
The canonical SMILES for [2-(methyliminomethyl)cyclohexen-1-yl]methanimine is [H]/N=C/C1=C(/C=N/C)CCCC1.
What is the InChIKey of [2-(methyliminomethyl)cyclohexen-1-yl]methanimine?
The InChIKey is TWMKRXHPGAUBFC-JMQWPVDRSA-N. The full InChI is InChI=1S/C9H14N2/c1-11-7-9-5-3-2-4-8(9)6-10/h6-7,10H,2-5H2,1H3/b10-6+,11-7+.
What are the key properties of [2-(methyliminomethyl)cyclohexen-1-yl]methanimine?
[2-(methyliminomethyl)cyclohexen-1-yl]methanimine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methyliminomethyl)cyclohexen-1-yl]methanimine is sourced from PubChem (CID 118944704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).