3-(2-methylazepan-1-yl)propane-1,2-diol

C10H21NO2 — CID 82850957

IUPAC3-(2-methylazepan-1-yl)propane-1,2-diol
SMILESCC1CCCCCN1CC(O)CO
InChIInChI=1S/C10H21NO2/c1-9-5-3-2-4-6-11(9)7-10(13)8-12/h9-10,12-13H,2-8H2,1H3
InChIKeyWIGFSBHQAOBQMI-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.60
Rot. Bonds3

About 3-(2-methylazepan-1-yl)propane-1,2-diol

3-(2-methylazepan-1-yl)propane-1,2-diol (PubChem CID 82850957) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(2-methylazepan-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methylazepan-1-yl)propane-1,2-diol
PubChem CID82850957
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(2-methylazepan-1-yl)propane-1,2-diol
SMILESCC1CCCCCN1CC(O)CO
InChIInChI=1S/C10H21NO2/c1-9-5-3-2-4-6-11(9)7-10(13)8-12/h9-10,12-13H,2-8H2,1H3
InChIKeyWIGFSBHQAOBQMI-UHFFFAOYSA-N
XLogP0.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
2-fluoro-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 135391104
(2S)-1-(cyclopropylamino)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 124550924
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
(2-methylpiperidin-1-yl)methanol
CID 67262865
1-cyclopropyl-2-(2-methylpyrrolidin-1-yl)ethanol
CID 63905921
1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane
CID 143050174
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
CID 98191086
1-(2,3-dihydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 82849638

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylazepan-1-yl)propane-1,2-diol?
The IUPAC name of 3-(2-methylazepan-1-yl)propane-1,2-diol (CID 82850957) is 3-(2-methylazepan-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2-methylazepan-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(2-methylazepan-1-yl)propane-1,2-diol is CC1CCCCCN1CC(O)CO.
What is the InChIKey of 3-(2-methylazepan-1-yl)propane-1,2-diol?
The InChIKey is WIGFSBHQAOBQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9-5-3-2-4-6-11(9)7-10(13)8-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 3-(2-methylazepan-1-yl)propane-1,2-diol?
3-(2-methylazepan-1-yl)propane-1,2-diol has a molecular weight of 187.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylazepan-1-yl)propane-1,2-diol is sourced from PubChem (CID 82850957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).