1-(azonan-1-yl)butan-2-ol

C12H25NO — CID 130671766

IUPAC1-(azonan-1-yl)butan-2-ol
SMILESCCC(O)CN1CCCCCCCC1
InChIInChI=1S/C12H25NO/c1-2-12(14)11-13-9-7-5-3-4-6-8-10-13/h12,14H,2-11H2,1H3
InChIKeyWKRJXKYMBYWNPB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds3

About 1-(azonan-1-yl)butan-2-ol

1-(azonan-1-yl)butan-2-ol (PubChem CID 130671766) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(azonan-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(azonan-1-yl)butan-2-ol
PubChem CID130671766
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(azonan-1-yl)butan-2-ol
SMILESCCC(O)CN1CCCCCCCC1
InChIInChI=1S/C12H25NO/c1-2-12(14)11-13-9-7-5-3-4-6-8-10-13/h12,14H,2-11H2,1H3
InChIKeyWKRJXKYMBYWNPB-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
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1-amino-3-(azonan-1-yl)propan-2-ol
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1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
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(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
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1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63170952
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 126975442
(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111487950

Frequently Asked Questions

What is the IUPAC name of 1-(azonan-1-yl)butan-2-ol?
The IUPAC name of 1-(azonan-1-yl)butan-2-ol (CID 130671766) is 1-(azonan-1-yl)butan-2-ol.
What is the SMILES notation for 1-(azonan-1-yl)butan-2-ol?
The canonical SMILES for 1-(azonan-1-yl)butan-2-ol is CCC(O)CN1CCCCCCCC1.
What is the InChIKey of 1-(azonan-1-yl)butan-2-ol?
The InChIKey is WKRJXKYMBYWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-12(14)11-13-9-7-5-3-4-6-8-10-13/h12,14H,2-11H2,1H3.
What are the key properties of 1-(azonan-1-yl)butan-2-ol?
1-(azonan-1-yl)butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azonan-1-yl)butan-2-ol is sourced from PubChem (CID 130671766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).