[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol

C15H32N2O — CID 116638097

IUPAC[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol
SMILESCCNC(C)C(C)(C)CN1CCCCCC1CO
InChIInChI=1S/C15H32N2O/c1-5-16-13(2)15(3,4)12-17-10-8-6-7-9-14(17)11-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeyHHFWHUWXEKZQSN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds6

About [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol

[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol (PubChem CID 116638097) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol
PubChem CID116638097
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol
SMILESCCNC(C)C(C)(C)CN1CCCCCC1CO
InChIInChI=1S/C15H32N2O/c1-5-16-13(2)15(3,4)12-17-10-8-6-7-9-14(17)11-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeyHHFWHUWXEKZQSN-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452820
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
4-(2,3-dimethylpiperidin-1-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66455577
(1-ethylazepan-2-yl)methanol
CID 2849413
3-[2-(hydroxymethyl)azepan-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 116638232
[1-(3-amino-2,2-dimethyl-3-phenylpropyl)azepan-2-yl]methanol
CID 116638200
[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
CID 62261349
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
2-(ethylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64798507
2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64796361
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141

Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol?
The IUPAC name of [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol (CID 116638097) is [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol is CCNC(C)C(C)(C)CN1CCCCCC1CO.
What is the InChIKey of [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol?
The InChIKey is HHFWHUWXEKZQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-16-13(2)15(3,4)12-17-10-8-6-7-9-14(17)11-18/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol?
[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol is sourced from PubChem (CID 116638097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).