[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol

C14H30N2O — CID 81419638

IUPAC[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
SMILESCN(C)CCCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H30N2O/c1-16(2)11-7-6-10-15-12-14(13-17)8-4-3-5-9-14/h15,17H,3-13H2,1-2H3
InChIKeyPLGYWERWHQXKLT-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds8

About [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol

[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol (PubChem CID 81419638) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
PubChem CID81419638
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
SMILESCN(C)CCCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H30N2O/c1-16(2)11-7-6-10-15-12-14(13-17)8-4-3-5-9-14/h15,17H,3-13H2,1-2H3
InChIKeyPLGYWERWHQXKLT-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
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

[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
CID 81399355
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
1-[[2-(dimethylamino)ethylamino]methyl]cyclopentan-1-ol
CID 65109208
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol (CID 81419638) is [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol is CN(C)CCCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol?
The InChIKey is PLGYWERWHQXKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-16(2)11-7-6-10-15-12-14(13-17)8-4-3-5-9-14/h15,17H,3-13H2,1-2H3.
What are the key properties of [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol?
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).