1-(3,3-dimethylazepan-1-yl)propan-2-ol

C11H23NO — CID 131175747

IUPAC1-(3,3-dimethylazepan-1-yl)propan-2-ol
SMILESCC(O)CN1CCCCC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-10(13)8-12-7-5-4-6-11(2,3)9-12/h10,13H,4-9H2,1-3H3
InChIKeyMXQWTVGEBGSLMD-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds2

About 1-(3,3-dimethylazepan-1-yl)propan-2-ol

1-(3,3-dimethylazepan-1-yl)propan-2-ol (PubChem CID 131175747) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(3,3-dimethylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylazepan-1-yl)propan-2-ol
PubChem CID131175747
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(3,3-dimethylazepan-1-yl)propan-2-ol
SMILESCC(O)CN1CCCCC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-10(13)8-12-7-5-4-6-11(2,3)9-12/h10,13H,4-9H2,1-3H3
InChIKeyMXQWTVGEBGSLMD-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
1-ethyl-3,3-dimethylazepane
CID 90730492
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
3-(3,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64789822
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395843
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
CID 116680106
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-cyclopentyl-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 104753013
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylazepan-1-yl)propan-2-ol?
The IUPAC name of 1-(3,3-dimethylazepan-1-yl)propan-2-ol (CID 131175747) is 1-(3,3-dimethylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,3-dimethylazepan-1-yl)propan-2-ol is CC(O)CN1CCCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylazepan-1-yl)propan-2-ol?
The InChIKey is MXQWTVGEBGSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(13)8-12-7-5-4-6-11(2,3)9-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylazepan-1-yl)propan-2-ol?
1-(3,3-dimethylazepan-1-yl)propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 131175747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).