4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol

C11H24N2O — CID 106133697

IUPAC4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
SMILESCN(C)CCNCC1CCC(O)CC1
InChIInChI=1S/C11H24N2O/c1-13(2)8-7-12-9-10-3-5-11(14)6-4-10/h10-12,14H,3-9H2,1-2H3
InChIKeyDRNAFBZZYMIILQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds5

About 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol

4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106133697) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106133697
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
SMILESCN(C)CCNCC1CCC(O)CC1
InChIInChI=1S/C11H24N2O/c1-13(2)8-7-12-9-10-3-5-11(14)6-4-10/h10-12,14H,3-9H2,1-2H3
InChIKeyDRNAFBZZYMIILQ-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol (CID 106133697) is 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol is CN(C)CCNCC1CCC(O)CC1.
What is the InChIKey of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is DRNAFBZZYMIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(2)8-7-12-9-10-3-5-11(14)6-4-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).