[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol

C12H26N2O — CID 116637148

IUPAC[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
SMILESCC(C)NCCN1CCCCCC1CO
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-9-14-8-5-3-4-6-12(14)10-15/h11-13,15H,3-10H2,1-2H3
InChIKeyDXLVEROHUVQHQG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds5

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

[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol (PubChem CID 116637148) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
PubChem CID116637148
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
SMILESCC(C)NCCN1CCCCCC1CO
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-9-14-8-5-3-4-6-12(14)10-15/h11-13,15H,3-10H2,1-2H3
InChIKeyDXLVEROHUVQHQG-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
[1-(5-chloro-3-methylpentyl)azepan-2-yl]methanol
CID 116637118
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol
CID 116638097
(1-ethylazepan-2-yl)methanol
CID 2849413
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428

Frequently Asked Questions

What is the IUPAC name of [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol (CID 116637148) is [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol is CC(C)NCCN1CCCCCC1CO.
What is the InChIKey of [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol?
The InChIKey is DXLVEROHUVQHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)13-7-9-14-8-5-3-4-6-12(14)10-15/h11-13,15H,3-10H2,1-2H3.
What are the key properties of [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol?
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).