2-tert-butyl-1-(2,2-dimethylpropyl)azetidine

C12H25N — CID 177261232

IUPAC2-tert-butyl-1-(2,2-dimethylpropyl)azetidine
SMILESCC(C)(C)CN1CCC1C(C)(C)C
InChIInChI=1S/C12H25N/c1-11(2,3)9-13-8-7-10(13)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyIPHFGBZAWJKMON-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds1

About 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine

2-tert-butyl-1-(2,2-dimethylpropyl)azetidine (PubChem CID 177261232) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2-dimethylpropyl)azetidine
PubChem CID177261232
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-tert-butyl-1-(2,2-dimethylpropyl)azetidine
SMILESCC(C)(C)CN1CCC1C(C)(C)C
InChIInChI=1S/C12H25N/c1-11(2,3)9-13-8-7-10(13)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyIPHFGBZAWJKMON-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-(2,2-dimethylpropyl)piperidine
CID 177261247
1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 170264259
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
(5S)-4,5-ditert-butyl-1-methyl-1,4-diazepane
CID 171587505
1-[(E)-but-2-enyl]-2-tert-butylpyrrolidine
CID 131247769
2-(2-tert-butylpyrrolidin-1-yl)acetic acid
CID 67953205
1-butyl-2-tert-butylpiperidine
CID 58060832
1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine
CID 155118393
1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
CID 134413729
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
CID 58877739
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine?
The IUPAC name of 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine (CID 177261232) is 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine.
What is the SMILES notation for 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine?
The canonical SMILES for 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine is CC(C)(C)CN1CCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine?
The InChIKey is IPHFGBZAWJKMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-11(2,3)9-13-8-7-10(13)12(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine?
2-tert-butyl-1-(2,2-dimethylpropyl)azetidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2-dimethylpropyl)azetidine is sourced from PubChem (CID 177261232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).