[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol

C11H24N2O — CID 116637146

IUPAC[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
SMILESCCNCCN1CCCCCC1CO
InChIInChI=1S/C11H24N2O/c1-2-12-7-9-13-8-5-3-4-6-11(13)10-14/h11-12,14H,2-10H2,1H3
InChIKeyHLAVGTMNCMZCSR-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds5

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

[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol (PubChem CID 116637146) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
PubChem CID116637146
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
SMILESCCNCCN1CCCCCC1CO
InChIInChI=1S/C11H24N2O/c1-2-12-7-9-13-8-5-3-4-6-11(13)10-14/h11-12,14H,2-10H2,1H3
InChIKeyHLAVGTMNCMZCSR-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
(1-ethylazepan-2-yl)methanol
CID 2849413
N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
2-[1-[2-(propylamino)ethyl]piperidin-2-yl]ethanol
CID 53211565
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131894162
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774

Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol (CID 116637146) is [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol is CCNCCN1CCCCCC1CO.
What is the InChIKey of [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol?
The InChIKey is HLAVGTMNCMZCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-12-7-9-13-8-5-3-4-6-11(13)10-14/h11-12,14H,2-10H2,1H3.
What are the key properties of [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol?
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(ethylamino)ethyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).