[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol

C13H28N2O — CID 79852600

IUPAC[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol
SMILESCN(C)CCNC1(CO)CCCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-12(2)7-5-6-8-13(12,11-16)14-9-10-15(3)4/h14,16H,5-11H2,1-4H3
InChIKeyAOTFAINTTAYJCD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds5

About [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol

[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol (PubChem CID 79852600) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol
PubChem CID79852600
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol
SMILESCN(C)CCNC1(CO)CCCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-12(2)7-5-6-8-13(12,11-16)14-9-10-15(3)4/h14,16H,5-11H2,1-4H3
InChIKeyAOTFAINTTAYJCD-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(diethylamino)ethylamino]-2,2-dimethylcyclopentyl]methanol
CID 79863280
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 79847920
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
CID 79852336
[2,2-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
CID 79863059
3-[[1-(aminomethyl)-2,2-dimethylcyclohexyl]amino]propan-1-ol
CID 79847478
[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
CID 61337984
[1-(cyclopropylamino)-2,2-dimethylcyclopentyl]methanol
CID 79863064
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
(1-methylcyclododecyl)methanol
CID 70130772
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol (CID 79852600) is [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol is CN(C)CCNC1(CO)CCCCC1(C)C.
What is the InChIKey of [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol?
The InChIKey is AOTFAINTTAYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)7-5-6-8-13(12,11-16)14-9-10-15(3)4/h14,16H,5-11H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol?
[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol is sourced from PubChem (CID 79852600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).