1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine

C16H31N — CID 170215911

IUPAC1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine
SMILESCC(C)(CC1CN1C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H31N/c1-15(2,3)17-12-14(17)11-16(4,5)13-9-7-6-8-10-13/h13-14H,6-12H2,1-5H3
InChIKeyFANMRJOTVMYRQQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.47
Rot. Bonds3

About 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine

1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine (PubChem CID 170215911) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine
PubChem CID170215911
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine
SMILESCC(C)(CC1CN1C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H31N/c1-15(2,3)17-12-14(17)11-16(4,5)13-9-7-6-8-10-13/h13-14H,6-12H2,1-5H3
InChIKeyFANMRJOTVMYRQQ-UHFFFAOYSA-N
XLogP4.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine?
The IUPAC name of 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine (CID 170215911) is 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine.
What is the SMILES notation for 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine?
The canonical SMILES for 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine is CC(C)(CC1CN1C(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine?
The InChIKey is FANMRJOTVMYRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-15(2,3)17-12-14(17)11-16(4,5)13-9-7-6-8-10-13/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine?
1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine has a molecular weight of 237.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine is sourced from PubChem (CID 170215911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).