6-[(1-ethylcyclobutyl)amino]hexan-1-ol

C12H25NO — CID 107703649

IUPAC6-[(1-ethylcyclobutyl)amino]hexan-1-ol
SMILESCCC1(NCCCCCCO)CCC1
InChIInChI=1S/C12H25NO/c1-2-12(8-7-9-12)13-10-5-3-4-6-11-14/h13-14H,2-11H2,1H3
InChIKeyKGXSVQYRFMKPPM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds8

About 6-[(1-ethylcyclobutyl)amino]hexan-1-ol

6-[(1-ethylcyclobutyl)amino]hexan-1-ol (PubChem CID 107703649) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-[(1-ethylcyclobutyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(1-ethylcyclobutyl)amino]hexan-1-ol
PubChem CID107703649
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-[(1-ethylcyclobutyl)amino]hexan-1-ol
SMILESCCC1(NCCCCCCO)CCC1
InChIInChI=1S/C12H25NO/c1-2-12(8-7-9-12)13-10-5-3-4-6-11-14/h13-14H,2-11H2,1H3
InChIKeyKGXSVQYRFMKPPM-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
CID 106841338
1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
CID 104668682
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
N-butyl-1-ethylcyclohexan-1-amine
CID 163975014
ethane;2-[(1-ethylcyclopropyl)amino]ethanol
CID 177193430
1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
[1-(butylamino)cyclohexyl]methanol
CID 62520970
4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
CID 106841176
1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylcyclobutyl)amino]hexan-1-ol?
The IUPAC name of 6-[(1-ethylcyclobutyl)amino]hexan-1-ol (CID 107703649) is 6-[(1-ethylcyclobutyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(1-ethylcyclobutyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(1-ethylcyclobutyl)amino]hexan-1-ol is CCC1(NCCCCCCO)CCC1.
What is the InChIKey of 6-[(1-ethylcyclobutyl)amino]hexan-1-ol?
The InChIKey is KGXSVQYRFMKPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-12(8-7-9-12)13-10-5-3-4-6-11-14/h13-14H,2-11H2,1H3.
What are the key properties of 6-[(1-ethylcyclobutyl)amino]hexan-1-ol?
6-[(1-ethylcyclobutyl)amino]hexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylcyclobutyl)amino]hexan-1-ol is sourced from PubChem (CID 107703649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).