1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol

C12H25NO2 — CID 65282402

IUPAC1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCCC(C)(C)CC1
InChIInChI=1S/C12H25NO2/c1-12(2)5-4-7-13(8-6-12)9-11(14)10-15-3/h11,14H,4-10H2,1-3H3
InChIKeyHDUNFSFUTYGSAB-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds4

About 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol

1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol (PubChem CID 65282402) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
PubChem CID65282402
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCCC(C)(C)CC1
InChIInChI=1S/C12H25NO2/c1-12(2)5-4-7-13(8-6-12)9-11(14)10-15-3/h11,14H,4-10H2,1-3H3
InChIKeyHDUNFSFUTYGSAB-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
1-(3-butoxy-2-hydroxypropyl)-4-methylazepan-4-ol
CID 107407215
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401
1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol
CID 63930043
1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 111462765
1-(3-aminophenoxy)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 65283726
3-(4,4-dimethylazepan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65282401
(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol
CID 99103988

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol (CID 65282402) is 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol is COCC(O)CN1CCCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol?
The InChIKey is HDUNFSFUTYGSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2)5-4-7-13(8-6-12)9-11(14)10-15-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol?
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 65282402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).