1-tert-butyl-3,3-dimethylazetidine

C9H19N — CID 14090352

IUPAC1-tert-butyl-3,3-dimethylazetidine
SMILESCC1(C)CN(C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-8(2,3)10-6-9(4,5)7-10/h6-7H2,1-5H3
InChIKeyNKDQSPJTLHAWKK-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds

About 1-tert-butyl-3,3-dimethylazetidine

1-tert-butyl-3,3-dimethylazetidine (PubChem CID 14090352) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-tert-butyl-3,3-dimethylazetidine.

Molecular Properties

Compound Name1-tert-butyl-3,3-dimethylazetidine
PubChem CID14090352
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-tert-butyl-3,3-dimethylazetidine
SMILESCC1(C)CN(C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-8(2,3)10-6-9(4,5)7-10/h6-7H2,1-5H3
InChIKeyNKDQSPJTLHAWKK-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-dimethylazetidine?
The IUPAC name of 1-tert-butyl-3,3-dimethylazetidine (CID 14090352) is 1-tert-butyl-3,3-dimethylazetidine.
What is the SMILES notation for 1-tert-butyl-3,3-dimethylazetidine?
The canonical SMILES for 1-tert-butyl-3,3-dimethylazetidine is CC1(C)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3,3-dimethylazetidine?
The InChIKey is NKDQSPJTLHAWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2,3)10-6-9(4,5)7-10/h6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-3,3-dimethylazetidine?
1-tert-butyl-3,3-dimethylazetidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-dimethylazetidine is sourced from PubChem (CID 14090352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).