N-(3-methyl-1-adamantyl)methanimine

C12H19N — CID 163642390

IUPACN-(3-methyl-1-adamantyl)methanimine
SMILESC=NC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C12H19N/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-2/h9-10H,2-8H2,1H3
InChIKeyIFJSLYCIMOEZMT-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.05
Rot. Bonds1

About N-(3-methyl-1-adamantyl)methanimine

N-(3-methyl-1-adamantyl)methanimine (PubChem CID 163642390) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(3-methyl-1-adamantyl)methanimine.

Molecular Properties

Compound NameN-(3-methyl-1-adamantyl)methanimine
PubChem CID163642390
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(3-methyl-1-adamantyl)methanimine
SMILESC=NC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C12H19N/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-2/h9-10H,2-8H2,1H3
InChIKeyIFJSLYCIMOEZMT-UHFFFAOYSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.05
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-(3-methyl-1-adamantyl)methanimine?
The IUPAC name of N-(3-methyl-1-adamantyl)methanimine (CID 163642390) is N-(3-methyl-1-adamantyl)methanimine.
What is the SMILES notation for N-(3-methyl-1-adamantyl)methanimine?
The canonical SMILES for N-(3-methyl-1-adamantyl)methanimine is C=NC12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N-(3-methyl-1-adamantyl)methanimine?
The InChIKey is IFJSLYCIMOEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-2/h9-10H,2-8H2,1H3.
What are the key properties of N-(3-methyl-1-adamantyl)methanimine?
N-(3-methyl-1-adamantyl)methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-adamantyl)methanimine is sourced from PubChem (CID 163642390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).