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

C12H26N2O — CID 116637143

IUPAC[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
SMILESCCCNCCN1CCCCCC1CO
InChIInChI=1S/C12H26N2O/c1-2-7-13-8-10-14-9-5-3-4-6-12(14)11-15/h12-13,15H,2-11H2,1H3
InChIKeyMZAZOULZAGSTCX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

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

[1-[2-(propylamino)ethyl]azepan-2-yl]methanol (PubChem CID 116637143) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[2-(propylamino)ethyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
PubChem CID116637143
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
SMILESCCCNCCN1CCCCCC1CO
InChIInChI=1S/C12H26N2O/c1-2-7-13-8-10-14-9-5-3-4-6-12(14)11-15/h12-13,15H,2-11H2,1H3
InChIKeyMZAZOULZAGSTCX-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
2-[1-[2-(propylamino)ethyl]piperidin-2-yl]ethanol
CID 53211565
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
(1-ethylazepan-2-yl)methanol
CID 2849413
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 61386205
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
CID 62260314
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428

Frequently Asked Questions

What is the IUPAC name of [1-[2-(propylamino)ethyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(propylamino)ethyl]azepan-2-yl]methanol (CID 116637143) is [1-[2-(propylamino)ethyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(propylamino)ethyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(propylamino)ethyl]azepan-2-yl]methanol is CCCNCCN1CCCCCC1CO.
What is the InChIKey of [1-[2-(propylamino)ethyl]azepan-2-yl]methanol?
The InChIKey is MZAZOULZAGSTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-7-13-8-10-14-9-5-3-4-6-12(14)11-15/h12-13,15H,2-11H2,1H3.
What are the key properties of [1-[2-(propylamino)ethyl]azepan-2-yl]methanol?
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(propylamino)ethyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).