1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine

C15H25N3 — CID 113381283

IUPAC1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(CNC)cc(N2CCCCCC2)n1
InChIInChI=1S/C15H25N3/c1-3-14-10-13(12-16-2)11-15(17-14)18-8-6-4-5-7-9-18/h10-11,16H,3-9,12H2,1-2H3
InChIKeyHWAYIYCQPQQVMR-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.74
Rot. Bonds4

About 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine

1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine (PubChem CID 113381283) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine
PubChem CID113381283
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(CNC)cc(N2CCCCCC2)n1
InChIInChI=1S/C15H25N3/c1-3-14-10-13(12-16-2)11-15(17-14)18-8-6-4-5-7-9-18/h10-11,16H,3-9,12H2,1-2H3
InChIKeyHWAYIYCQPQQVMR-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 107395291
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
CID 126971307
[2-ethyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]methanamine
CID 113381278
N-methyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)methanamine
CID 83878191
N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 106316542
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
CID 178092241
2-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80934171
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
[2-ethyl-6-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
CID 113381383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine (CID 113381283) is 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine is CCc1cc(CNC)cc(N2CCCCCC2)n1.
What is the InChIKey of 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine?
The InChIKey is HWAYIYCQPQQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-14-10-13(12-16-2)11-15(17-14)18-8-6-4-5-7-9-18/h10-11,16H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine?
1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 113381283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).