N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine

C10H15N — CID 90266728

IUPACN-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine
SMILESC=NC1=C(C)C=C(C)C(C)C1
InChIInChI=1S/C10H15N/c1-7-5-9(3)10(11-4)6-8(7)2/h5,8H,4,6H2,1-3H3
InChIKeyKFUAEEWRFLGEDP-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds1

About N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine

N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine (PubChem CID 90266728) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine
PubChem CID90266728
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine
SMILESC=NC1=C(C)C=C(C)C(C)C1
InChIInChI=1S/C10H15N/c1-7-5-9(3)10(11-4)6-8(7)2/h5,8H,4,6H2,1-3H3
InChIKeyKFUAEEWRFLGEDP-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
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 N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine?
The IUPAC name of N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine (CID 90266728) is N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine.
What is the SMILES notation for N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine?
The canonical SMILES for N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine is C=NC1=C(C)C=C(C)C(C)C1.
What is the InChIKey of N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine?
The InChIKey is KFUAEEWRFLGEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-5-9(3)10(11-4)6-8(7)2/h5,8H,4,6H2,1-3H3.
What are the key properties of N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine?
N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine is sourced from PubChem (CID 90266728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).