6-(azacyclotridec-1-yl)hexan-1-ol

C18H37NO — CID 101161993

IUPAC6-(azacyclotridec-1-yl)hexan-1-ol
SMILESOCCCCCCN1CCCCCCCCCCCC1
InChIInChI=1S/C18H37NO/c20-18-14-10-9-13-17-19-15-11-7-5-3-1-2-4-6-8-12-16-19/h20H,1-18H2
InChIKeyLBXFYTYUGWIJHC-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.76
Rot. Bonds6

About 6-(azacyclotridec-1-yl)hexan-1-ol

6-(azacyclotridec-1-yl)hexan-1-ol (PubChem CID 101161993) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 6-(azacyclotridec-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(azacyclotridec-1-yl)hexan-1-ol
PubChem CID101161993
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name6-(azacyclotridec-1-yl)hexan-1-ol
SMILESOCCCCCCN1CCCCCCCCCCCC1
InChIInChI=1S/C18H37NO/c20-18-14-10-9-13-17-19-15-11-7-5-3-1-2-4-6-8-12-16-19/h20H,1-18H2
InChIKeyLBXFYTYUGWIJHC-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
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6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725
1-(azepan-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 110923764
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 6-(azacyclotridec-1-yl)hexan-1-ol?
The IUPAC name of 6-(azacyclotridec-1-yl)hexan-1-ol (CID 101161993) is 6-(azacyclotridec-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(azacyclotridec-1-yl)hexan-1-ol?
The canonical SMILES for 6-(azacyclotridec-1-yl)hexan-1-ol is OCCCCCCN1CCCCCCCCCCCC1.
What is the InChIKey of 6-(azacyclotridec-1-yl)hexan-1-ol?
The InChIKey is LBXFYTYUGWIJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c20-18-14-10-9-13-17-19-15-11-7-5-3-1-2-4-6-8-12-16-19/h20H,1-18H2.
What are the key properties of 6-(azacyclotridec-1-yl)hexan-1-ol?
6-(azacyclotridec-1-yl)hexan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azacyclotridec-1-yl)hexan-1-ol is sourced from PubChem (CID 101161993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).