N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine

C12H24N2 — CID 12847761

IUPACN-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine
SMILESCC1C(/C=N/C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C12H24N2/c1-9-10(8-13-11(2,3)4)14(9)12(5,6)7/h8-10H,1-7H3/b13-8+
InChIKeySKZSQUUWUIJKCQ-MDWZMJQESA-N
MW196.34 g/mol
LogP2.73
Rot. Bonds1

About N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine

N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine (PubChem CID 12847761) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine
PubChem CID12847761
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine
SMILESCC1C(/C=N/C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C12H24N2/c1-9-10(8-13-11(2,3)4)14(9)12(5,6)7/h8-10H,1-7H3/b13-8+
InChIKeySKZSQUUWUIJKCQ-MDWZMJQESA-N
XLogP2.73
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 6398001
CID 6398001
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(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine (CID 12847761) is N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine is CC1C(/C=N/C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine?
The InChIKey is SKZSQUUWUIJKCQ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H24N2/c1-9-10(8-13-11(2,3)4)14(9)12(5,6)7/h8-10H,1-7H3/b13-8+.
What are the key properties of N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine?
N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine has a molecular weight of 196.34 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine is sourced from PubChem (CID 12847761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).