[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol

C14H23N3O — CID 116640751

IUPAC[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)ccn1
InChIInChI=1S/C14H23N3O/c1-2-15-14-10-12(7-8-16-14)17-9-5-3-4-6-13(17)11-18/h7-8,10,13,18H,2-6,9,11H2,1H3,(H,15,16)
InChIKeyYCEZGBSTNGFSOC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds4

About [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol

[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol (PubChem CID 116640751) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
PubChem CID116640751
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)ccn1
InChIInChI=1S/C14H23N3O/c1-2-15-14-10-12(7-8-16-14)17-9-5-3-4-6-13(17)11-18/h7-8,10,13,18H,2-6,9,11H2,1H3,(H,15,16)
InChIKeyYCEZGBSTNGFSOC-UHFFFAOYSA-N
XLogP2.25
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640752
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol
CID 116637998
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
2-[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]piperidin-2-yl]ethanol
CID 62144222
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409424
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
1-[2-(ethylamino)-4-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198642

Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol (CID 116640751) is [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol is CCNc1cc(N2CCCCCC2CO)ccn1.
What is the InChIKey of [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol?
The InChIKey is YCEZGBSTNGFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-14-10-12(7-8-16-14)17-9-5-3-4-6-13(17)11-18/h7-8,10,13,18H,2-6,9,11H2,1H3,(H,15,16).
What are the key properties of [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol?
[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol is sourced from PubChem (CID 116640751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).