2,2-dimethyl-1-propan-2-ylazetidine

C8H17N — CID 10606754

IUPAC2,2-dimethyl-1-propan-2-ylazetidine
SMILESCC(C)N1CCC1(C)C
InChIInChI=1S/C8H17N/c1-7(2)9-6-5-8(9,3)4/h7H,5-6H2,1-4H3
InChIKeyOTQYMGLOOOLVOS-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.88
Rot. Bonds1

About 2,2-dimethyl-1-propan-2-ylazetidine

2,2-dimethyl-1-propan-2-ylazetidine (PubChem CID 10606754) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-ylazetidine
PubChem CID10606754
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,2-dimethyl-1-propan-2-ylazetidine
SMILESCC(C)N1CCC1(C)C
InChIInChI=1S/C8H17N/c1-7(2)9-6-5-8(9,3)4/h7H,5-6H2,1-4H3
InChIKeyOTQYMGLOOOLVOS-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-ylazetidine?
The IUPAC name of 2,2-dimethyl-1-propan-2-ylazetidine (CID 10606754) is 2,2-dimethyl-1-propan-2-ylazetidine.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-ylazetidine?
The canonical SMILES for 2,2-dimethyl-1-propan-2-ylazetidine is CC(C)N1CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-propan-2-ylazetidine?
The InChIKey is OTQYMGLOOOLVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)9-6-5-8(9,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-propan-2-ylazetidine?
2,2-dimethyl-1-propan-2-ylazetidine has a molecular weight of 127.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-ylazetidine is sourced from PubChem (CID 10606754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).