trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol

C10H19NO — CID 131701520

IUPACtrans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1N1CCCCCC1
InChIInChI=1S/C10H19NO/c12-10-6-5-9(10)11-7-3-1-2-4-8-11/h9-10,12H,1-8H2/t9-,10-/m1/s1
InChIKeyWKMMYHAXJWIYKU-NXEZZACHSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds1

About trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol

trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol (PubChem CID 131701520) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
PubChem CID131701520
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nametrans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1N1CCCCCC1
InChIInChI=1S/C10H19NO/c12-10-6-5-9(10)11-7-3-1-2-4-8-11/h9-10,12H,1-8H2/t9-,10-/m1/s1
InChIKeyWKMMYHAXJWIYKU-NXEZZACHSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol
CID 125452379
2-piperazin-1-ylcyclobutan-1-ol
CID 165486406
2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol
CID 126993246
trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol
CID 131701466
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol (CID 131701520) is trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol is O[C@@H]1CC[C@H]1N1CCCCCC1.
What is the InChIKey of trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol?
The InChIKey is WKMMYHAXJWIYKU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO/c12-10-6-5-9(10)11-7-3-1-2-4-8-11/h9-10,12H,1-8H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol?
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 131701520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).