2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol

C10H20N2O — CID 66185277

IUPAC2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol
SMILESCN(C1CNC1)C1CCCCC1O
InChIInChI=1S/C10H20N2O/c1-12(8-6-11-7-8)9-4-2-3-5-10(9)13/h8-11,13H,2-7H2,1H3
InChIKeyYTNVYDRBSWSAGZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.19
Rot. Bonds2

About 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol

2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol (PubChem CID 66185277) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol
PubChem CID66185277
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol
SMILESCN(C1CNC1)C1CCCCC1O
InChIInChI=1S/C10H20N2O/c1-12(8-6-11-7-8)9-4-2-3-5-10(9)13/h8-11,13H,2-7H2,1H3
InChIKeyYTNVYDRBSWSAGZ-UHFFFAOYSA-N
XLogP0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-Hydroxycyclohexyl)amino]ethylamino]cyclohexanol
CID 258227
rac-(1R,2R)-2-((propan-2-yl)amino)cyclohexan-1-ol
CID 11030075
2-(Piperazin-1-yl)cyclohexanol
CID 6484175
2-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 5213647
2-(1,4,7,10-Tetraazacyclododec-1-yl)cyclohexanol
CID 11011073
trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol
CID 13447992
2-(Propylamino)cyclohexan-1-ol
CID 15560801
(1R)-2-[2-[[(2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexanol
CID 470092
2-(2-Aminoethylamino)cyclohexan-1-ol
CID 231372
Cycyclen
CID 11076512
trans-(1R,2R)-2-(butylamino)cyclohexan-1-ol
CID 13343834
trans-(1S,2S)-2-(propylamino)cyclohexan-1-ol
CID 28660473

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol (CID 66185277) is 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol is CN(C1CNC1)C1CCCCC1O.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol?
The InChIKey is YTNVYDRBSWSAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12(8-6-11-7-8)9-4-2-3-5-10(9)13/h8-11,13H,2-7H2,1H3.
What are the key properties of 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol?
2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 66185277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).