3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine

C16H32N2 — CID 169016284

IUPAC3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
SMILESCC(C)(C)CN1CC(CN2CC(C(C)(C)C)C2)C1
InChIInChI=1S/C16H32N2/c1-15(2,3)12-18-8-13(9-18)7-17-10-14(11-17)16(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyJEOAMNZDDHNASN-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.94
Rot. Bonds3

About 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine

3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine (PubChem CID 169016284) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine.

Molecular Properties

Compound Name3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
PubChem CID169016284
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
SMILESCC(C)(C)CN1CC(CN2CC(C(C)(C)C)C2)C1
InChIInChI=1S/C16H32N2/c1-15(2,3)12-18-8-13(9-18)7-17-10-14(11-17)16(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyJEOAMNZDDHNASN-UHFFFAOYSA-N
XLogP2.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane
CID 140899205
1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
CID 104575657
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491
3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 79689744
3-tert-butyl-1-propylazetidine
CID 134337419
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 75994015
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
CID 130253781
4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
CID 177072799

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine?
The IUPAC name of 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine (CID 169016284) is 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine.
What is the SMILES notation for 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine?
The canonical SMILES for 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine is CC(C)(C)CN1CC(CN2CC(C(C)(C)C)C2)C1.
What is the InChIKey of 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine?
The InChIKey is JEOAMNZDDHNASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2,3)12-18-8-13(9-18)7-17-10-14(11-17)16(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine?
3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine has a molecular weight of 252.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine is sourced from PubChem (CID 169016284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).