3-[(3-tert-butylazetidin-1-yl)methyl]pyridine

C13H20N2 — CID 164785326

IUPAC3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
SMILESCC(C)(C)C1CN(Cc2cccnc2)C1
InChIInChI=1S/C13H20N2/c1-13(2,3)12-9-15(10-12)8-11-5-4-6-14-7-11/h4-7,12H,8-10H2,1-3H3
InChIKeyXASXMZZSSXXYPO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.56
Rot. Bonds2

About 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine

3-[(3-tert-butylazetidin-1-yl)methyl]pyridine (PubChem CID 164785326) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
PubChem CID164785326
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
SMILESCC(C)(C)C1CN(Cc2cccnc2)C1
InChIInChI=1S/C13H20N2/c1-13(2,3)12-9-15(10-12)8-11-5-4-6-14-7-11/h4-7,12H,8-10H2,1-3H3
InChIKeyXASXMZZSSXXYPO-UHFFFAOYSA-N
XLogP2.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 54977770
N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 56895117
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine
CID 164927220
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134709218
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine?
The IUPAC name of 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine (CID 164785326) is 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine is CC(C)(C)C1CN(Cc2cccnc2)C1.
What is the InChIKey of 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine?
The InChIKey is XASXMZZSSXXYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)12-9-15(10-12)8-11-5-4-6-14-7-11/h4-7,12H,8-10H2,1-3H3.
What are the key properties of 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine?
3-[(3-tert-butylazetidin-1-yl)methyl]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butylazetidin-1-yl)methyl]pyridine is sourced from PubChem (CID 164785326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).