(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine

C10H15N — CID 143243658

IUPAC(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1CC(C)=C(C)C=C1C
InChIInChI=1S/C10H15N/c1-7-4-9(3)10(6-11)5-8(7)2/h4,6,10-11H,5H2,1-3H3/b11-6+
InChIKeyYCPVXYZFGFOWGR-IZZDOVSWSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds1

About (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine

(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 143243658) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound Name(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID143243658
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1CC(C)=C(C)C=C1C
InChIInChI=1S/C10H15N/c1-7-4-9(3)10(6-11)5-8(7)2/h4,6,10-11H,5H2,1-3H3/b11-6+
InChIKeyYCPVXYZFGFOWGR-IZZDOVSWSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine (CID 143243658) is (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine is [H]/N=C/C1CC(C)=C(C)C=C1C.
What is the InChIKey of (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is YCPVXYZFGFOWGR-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H15N/c1-7-4-9(3)10(6-11)5-8(7)2/h4,6,10-11H,5H2,1-3H3/b11-6+.
What are the key properties of (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 143243658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).