1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile

C12H21N3 — CID 167292339

IUPAC1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile
SMILESCC1(C#N)CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H21N3/c1-11(2,3)15-5-10(6-15)14-8-12(4,7-13)9-14/h10H,5-6,8-9H2,1-4H3
InChIKeyARJXRVLWNBFQEC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.31
Rot. Bonds1

About 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile

1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile (PubChem CID 167292339) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile
PubChem CID167292339
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile
SMILESCC1(C#N)CN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H21N3/c1-11(2,3)15-5-10(6-15)14-8-12(4,7-13)9-14/h10H,5-6,8-9H2,1-4H3
InChIKeyARJXRVLWNBFQEC-UHFFFAOYSA-N
XLogP1.31
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile
CID 156546474
1-tert-butyl-3-methylpyrrolidine-3-carbonitrile
CID 129119605
1-(1-tert-butylazetidin-3-yl)-4,4-dimethylpiperidine
CID 166567337
2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane
CID 170255368
1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane
CID 161313953
3-tert-butyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 134166341
6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 171445186
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
[1-(1-tert-butylazetidin-3-yl)azetidin-3-yl]methanol
CID 167291866
N-tert-butyl-1-(1-tert-butylazetidin-3-yl)azetidin-3-amine
CID 176816684
1-tert-butyl-5,5-dimethyl-4-oxopiperidine-3-carbonitrile
CID 57447318
3-tert-butyl-6-sulfanyl-3,6-diazabicyclo[3.1.1]heptane
CID 167027579

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile (CID 167292339) is 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile is CC1(C#N)CN(C2CN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile?
The InChIKey is ARJXRVLWNBFQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2,3)15-5-10(6-15)14-8-12(4,7-13)9-14/h10H,5-6,8-9H2,1-4H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile?
1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile is sourced from PubChem (CID 167292339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).