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

C12H18N2 — CID 81148387

IUPAC2-(3-methyl-2-pyridinyl)azepane
SMILESCc1cccnc1C1CCCCCN1
InChIInChI=1S/C12H18N2/c1-10-6-5-9-14-12(10)11-7-3-2-4-8-13-11/h5-6,9,11,13H,2-4,7-8H2,1H3
InChIKeyFFJBDVQWHHLZKE-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.59
Rot. Bonds1

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

2-(3-methyl-2-pyridinyl)azepane (PubChem CID 81148387) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)azepane.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)azepane
PubChem CID81148387
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(3-methyl-2-pyridinyl)azepane
SMILESCc1cccnc1C1CCCCCN1
InChIInChI=1S/C12H18N2/c1-10-6-5-9-14-12(10)11-7-3-2-4-8-13-11/h5-6,9,11,13H,2-4,7-8H2,1H3
InChIKeyFFJBDVQWHHLZKE-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-pyrrolidin-2-yl-3-pyridinyl)boronic acid
CID 121234044
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
3-phenyl-2-pyrrolidin-2-ylpyridine
CID 115008660
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
3,8-dimethyl-2-piperidin-2-ylimidazo[1,2-a]pyridine
CID 115037395
2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
CID 171195423
1-(3-piperidin-2-yl-2-pyridinyl)azepane
CID 102541861
2-pyridazin-4-ylazepane
CID 104670038
2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 114239785
2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335157
6-[(2R)-azepan-2-yl]quinoline
CID 40638182
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
CID 102542304

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)azepane?
The IUPAC name of 2-(3-methyl-2-pyridinyl)azepane (CID 81148387) is 2-(3-methyl-2-pyridinyl)azepane.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)azepane?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)azepane is Cc1cccnc1C1CCCCCN1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)azepane?
The InChIKey is FFJBDVQWHHLZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-6-5-9-14-12(10)11-7-3-2-4-8-13-11/h5-6,9,11,13H,2-4,7-8H2,1H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)azepane?
2-(3-methyl-2-pyridinyl)azepane has a molecular weight of 190.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)azepane is sourced from PubChem (CID 81148387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).