N-(2,3,4-trimethylidenecyclohexyl)methanimine

C10H13N — CID 137397637

IUPACN-(2,3,4-trimethylidenecyclohexyl)methanimine
SMILESC=NC1CCC(=C)C(=C)C1=C
InChIInChI=1S/C10H13N/c1-7-5-6-10(11-4)9(3)8(7)2/h10H,1-6H2
InChIKeyPUKVOTCQDWSVPS-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds1

About N-(2,3,4-trimethylidenecyclohexyl)methanimine

N-(2,3,4-trimethylidenecyclohexyl)methanimine (PubChem CID 137397637) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(2,3,4-trimethylidenecyclohexyl)methanimine.

Molecular Properties

Compound NameN-(2,3,4-trimethylidenecyclohexyl)methanimine
PubChem CID137397637
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(2,3,4-trimethylidenecyclohexyl)methanimine
SMILESC=NC1CCC(=C)C(=C)C1=C
InChIInChI=1S/C10H13N/c1-7-5-6-10(11-4)9(3)8(7)2/h10H,1-6H2
InChIKeyPUKVOTCQDWSVPS-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
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-(2,3,4-trimethylidenecyclohexyl)methanimine?
The IUPAC name of N-(2,3,4-trimethylidenecyclohexyl)methanimine (CID 137397637) is N-(2,3,4-trimethylidenecyclohexyl)methanimine.
What is the SMILES notation for N-(2,3,4-trimethylidenecyclohexyl)methanimine?
The canonical SMILES for N-(2,3,4-trimethylidenecyclohexyl)methanimine is C=NC1CCC(=C)C(=C)C1=C.
What is the InChIKey of N-(2,3,4-trimethylidenecyclohexyl)methanimine?
The InChIKey is PUKVOTCQDWSVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-5-6-10(11-4)9(3)8(7)2/h10H,1-6H2.
What are the key properties of N-(2,3,4-trimethylidenecyclohexyl)methanimine?
N-(2,3,4-trimethylidenecyclohexyl)methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trimethylidenecyclohexyl)methanimine is sourced from PubChem (CID 137397637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).