[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol

C13H25NO — CID 81419373

IUPAC[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCC2CC2)CCCCC1
InChIInChI=1S/C13H25NO/c15-11-13(7-2-1-3-8-13)10-14-9-6-12-4-5-12/h12,14-15H,1-11H2
InChIKeyVVYLTQUETHPNBD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.32
Rot. Bonds6

About [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol

[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol (PubChem CID 81419373) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
PubChem CID81419373
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCC2CC2)CCCCC1
InChIInChI=1S/C13H25NO/c15-11-13(7-2-1-3-8-13)10-14-9-6-12-4-5-12/h12,14-15H,1-11H2
InChIKeyVVYLTQUETHPNBD-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.32
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

[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103966435
[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol
CID 115692767
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81419818
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
[1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419716
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941

Frequently Asked Questions

What is the IUPAC name of [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol (CID 81419373) is [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol is OCC1(CNCCC2CC2)CCCCC1.
What is the InChIKey of [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol?
The InChIKey is VVYLTQUETHPNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-11-13(7-2-1-3-8-13)10-14-9-6-12-4-5-12/h12,14-15H,1-11H2.
What are the key properties of [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol?
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).