1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol

C14H27NO — CID 114338898

IUPAC1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CC1CCC1
InChIInChI=1S/C14H27NO/c1-12(16)10-14-8-3-2-4-9-15(14)11-13-6-5-7-13/h12-14,16H,2-11H2,1H3
InChIKeyKNRVDZFAMUKGDA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds4

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

1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol (PubChem CID 114338898) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
PubChem CID114338898
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CC1CCC1
InChIInChI=1S/C14H27NO/c1-12(16)10-14-8-3-2-4-9-15(14)11-13-6-5-7-13/h12-14,16H,2-11H2,1H3
InChIKeyKNRVDZFAMUKGDA-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758742
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
2-(2-bromopropyl)-1-(oxan-4-ylmethyl)azepane
CID 112748024
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-methylpropan-2-ol
CID 114338998
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol (CID 114338898) is 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol is CC(O)CC1CCCCCN1CC1CCC1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol?
The InChIKey is KNRVDZFAMUKGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(16)10-14-8-3-2-4-9-15(14)11-13-6-5-7-13/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol?
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).