6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol

C11H23NO2 — CID 107704344

IUPAC6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol
SMILESNCC1CC(OCCCCCCO)C1
InChIInChI=1S/C11H23NO2/c12-9-10-7-11(8-10)14-6-4-2-1-3-5-13/h10-11,13H,1-9,12H2
InChIKeyZAPQTNTZDFDBHM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.29
Rot. Bonds8

About 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol

6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol (PubChem CID 107704344) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol.

Molecular Properties

Compound Name6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol
PubChem CID107704344
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol
SMILESNCC1CC(OCCCCCCO)C1
InChIInChI=1S/C11H23NO2/c12-9-10-7-11(8-10)14-6-4-2-1-3-5-13/h10-11,13H,1-9,12H2
InChIKeyZAPQTNTZDFDBHM-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
3-(3-aminocyclopentyl)oxypropan-1-ol
CID 106938667
3-cyclopropyloxypropan-1-ol
CID 66696145
4-(3,3-dimethylcyclobutyl)oxybutan-1-ol
CID 58375966
(1R,2R,4S,5R)-6-(4-hydroxybutoxy)cyclohexane-1,2,3,4,5-pentol
CID 90887918
3-(3-fluoropropoxy)cyclobutan-1-amine
CID 81113512
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
CID 175888829
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
CID 175636399
4-(1,3-dioxolan-2-yloxy)butan-1-ol
CID 23298944

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol?
The IUPAC name of 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol (CID 107704344) is 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol.
What is the SMILES notation for 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol?
The canonical SMILES for 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol is NCC1CC(OCCCCCCO)C1.
What is the InChIKey of 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol?
The InChIKey is ZAPQTNTZDFDBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c12-9-10-7-11(8-10)14-6-4-2-1-3-5-13/h10-11,13H,1-9,12H2.
What are the key properties of 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol?
6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)cyclobutyl]oxyhexan-1-ol is sourced from PubChem (CID 107704344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).