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

C15H25N3O — CID 116637998

IUPAC[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol
SMILESCCNc1cc(CN2CCCCCC2CO)ccn1
InChIInChI=1S/C15H25N3O/c1-2-16-15-10-13(7-8-17-15)11-18-9-5-3-4-6-14(18)12-19/h7-8,10,14,19H,2-6,9,11-12H2,1H3,(H,16,17)
InChIKeyGWWSTJNJMBZLJQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds5

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

[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol (PubChem CID 116637998) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol
PubChem CID116637998
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol
SMILESCCNc1cc(CN2CCCCCC2CO)ccn1
InChIInChI=1S/C15H25N3O/c1-2-16-15-10-13(7-8-17-15)11-18-9-5-3-4-6-14(18)12-19/h7-8,10,14,19H,2-6,9,11-12H2,1H3,(H,16,17)
InChIKeyGWWSTJNJMBZLJQ-UHFFFAOYSA-N
XLogP2.25
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640751
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
2-[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-2-yl]ethanol
CID 62469935
N'-hydroxy-4-[[2-(hydroxymethyl)azepan-1-yl]methyl]pyridine-2-carboximidamide
CID 136941768
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
[1-[[4-(ethylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208428
N-methyl-1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 62466604
[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640752
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
2-[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]piperidin-2-yl]ethanol
CID 62144222
[1-[(4-hydrazinyl-2-pyridinyl)methyl]piperidin-2-yl]methanol
CID 79260280

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol (CID 116637998) is [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol is CCNc1cc(CN2CCCCCC2CO)ccn1.
What is the InChIKey of [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol?
The InChIKey is GWWSTJNJMBZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-16-15-10-13(7-8-17-15)11-18-9-5-3-4-6-14(18)12-19/h7-8,10,14,19H,2-6,9,11-12H2,1H3,(H,16,17).
What are the key properties of [1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol?
[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.25, 5 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]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).