3-[(3-methyl-2-pyridinyl)methyl]azepane

C13H20N2 — CID 104680698

IUPAC3-[(3-methyl-2-pyridinyl)methyl]azepane
SMILESCc1cccnc1CC1CCCCNC1
InChIInChI=1S/C13H20N2/c1-11-5-4-8-15-13(11)9-12-6-2-3-7-14-10-12/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3
InChIKeyGVIOYLZFARNJNL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.32
Rot. Bonds2

About 3-[(3-methyl-2-pyridinyl)methyl]azepane

3-[(3-methyl-2-pyridinyl)methyl]azepane (PubChem CID 104680698) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)methyl]azepane.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)methyl]azepane
PubChem CID104680698
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[(3-methyl-2-pyridinyl)methyl]azepane
SMILESCc1cccnc1CC1CCCCNC1
InChIInChI=1S/C13H20N2/c1-11-5-4-8-15-13(11)9-12-6-2-3-7-14-10-12/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3
InChIKeyGVIOYLZFARNJNL-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130382074
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2-(3-methyl-2-pyridinyl)-N-[(3S)-piperidin-3-yl]acetamide
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3-[(2,3-dimethylphenyl)methyl]piperidine
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5-(piperidin-3-ylmethyl)quinoline
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3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 112651216
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164076
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)methyl]azepane?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)methyl]azepane (CID 104680698) is 3-[(3-methyl-2-pyridinyl)methyl]azepane.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)methyl]azepane?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)methyl]azepane is Cc1cccnc1CC1CCCCNC1.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)methyl]azepane?
The InChIKey is GVIOYLZFARNJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-5-4-8-15-13(11)9-12-6-2-3-7-14-10-12/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-[(3-methyl-2-pyridinyl)methyl]azepane?
3-[(3-methyl-2-pyridinyl)methyl]azepane has a molecular weight of 204.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)methyl]azepane is sourced from PubChem (CID 104680698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).