(2S)-3,3-dimethyl-2-propan-2-ylazetidine

C8H17N — CID 124670669

IUPAC(2S)-3,3-dimethyl-2-propan-2-ylazetidine
SMILESCC(C)[C@@H]1NCC1(C)C
InChIInChI=1S/C8H17N/c1-6(2)7-8(3,4)5-9-7/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyNEIOTGPXCDUBAK-ZETCQYMHSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds1

About (2S)-3,3-dimethyl-2-propan-2-ylazetidine

(2S)-3,3-dimethyl-2-propan-2-ylazetidine (PubChem CID 124670669) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-propan-2-ylazetidine.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-propan-2-ylazetidine
PubChem CID124670669
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2S)-3,3-dimethyl-2-propan-2-ylazetidine
SMILESCC(C)[C@@H]1NCC1(C)C
InChIInChI=1S/C8H17N/c1-6(2)7-8(3,4)5-9-7/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyNEIOTGPXCDUBAK-ZETCQYMHSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-propan-2-yl-2-azaspiro[4.5]decane
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2,2-dimethyl-4-propan-2-ylpyrrolidine
CID 117269783
2,2-dimethyl-5-propan-2-yl-1,4-oxazepane
CID 106352772
2,2-diethyl-5-propan-2-ylpiperazine
CID 64884451
3-butan-2-yl-2-azaspiro[3.4]octane
CID 130575209
2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
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CID 165484839

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-propan-2-ylazetidine?
The IUPAC name of (2S)-3,3-dimethyl-2-propan-2-ylazetidine (CID 124670669) is (2S)-3,3-dimethyl-2-propan-2-ylazetidine.
What is the SMILES notation for (2S)-3,3-dimethyl-2-propan-2-ylazetidine?
The canonical SMILES for (2S)-3,3-dimethyl-2-propan-2-ylazetidine is CC(C)[C@@H]1NCC1(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-2-propan-2-ylazetidine?
The InChIKey is NEIOTGPXCDUBAK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)7-8(3,4)5-9-7/h6-7,9H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-3,3-dimethyl-2-propan-2-ylazetidine?
(2S)-3,3-dimethyl-2-propan-2-ylazetidine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-propan-2-ylazetidine is sourced from PubChem (CID 124670669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).