2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol

C13H28N2O — CID 64735435

IUPAC2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)CC1C(C)CC(C)CC1N
InChIInChI=1S/C13H28N2O/c1-4-15(5-6-16)9-12-11(3)7-10(2)8-13(12)14/h10-13,16H,4-9,14H2,1-3H3
InChIKeyBTKUDWICGSENCE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.31
Rot. Bonds5

About 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol

2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol (PubChem CID 64735435) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol
PubChem CID64735435
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)CC1C(C)CC(C)CC1N
InChIInChI=1S/C13H28N2O/c1-4-15(5-6-16)9-12-11(3)7-10(2)8-13(12)14/h10-13,16H,4-9,14H2,1-3H3
InChIKeyBTKUDWICGSENCE-UHFFFAOYSA-N
XLogP1.31
TPSA49.49 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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79379942
2-[ethyl-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]amino]ethanol
CID 64735434
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
CID 64737201
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736034
2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 64735248
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734672
2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736449
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 82952445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol (CID 64735435) is 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol is CCN(CCO)CC1C(C)CC(C)CC1N.
What is the InChIKey of 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol?
The InChIKey is BTKUDWICGSENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-15(5-6-16)9-12-11(3)7-10(2)8-13(12)14/h10-13,16H,4-9,14H2,1-3H3.
What are the key properties of 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol?
2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol is sourced from PubChem (CID 64735435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).