1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol

C13H28N2O — CID 114338880

IUPAC1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CCN(C)C
InChIInChI=1S/C13H28N2O/c1-12(16)11-13-7-5-4-6-8-15(13)10-9-14(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyPGALEQPAARLQAN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.56
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol

1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol (PubChem CID 114338880) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
PubChem CID114338880
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CCN(C)C
InChIInChI=1S/C13H28N2O/c1-12(16)11-13-7-5-4-6-8-15(13)10-9-14(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyPGALEQPAARLQAN-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114337979
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114338264
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-(1-pent-4-enylpiperidin-2-yl)propan-2-ol
CID 114338062
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol (CID 114338880) is 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol is CC(O)CC1CCCCCN1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol?
The InChIKey is PGALEQPAARLQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(16)11-13-7-5-4-6-8-15(13)10-9-14(2)3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol?
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).