2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol

C13H28N2O2 — CID 62006206

IUPAC2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol
SMILESCC1CCC(CN)(N(C)CCOCCO)CC1
InChIInChI=1S/C13H28N2O2/c1-12-3-5-13(11-14,6-4-12)15(2)7-9-17-10-8-16/h12,16H,3-11,14H2,1-2H3
InChIKeyQKGNESHHSYLZSW-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.83
Rot. Bonds7

About 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol

2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol (PubChem CID 62006206) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol
PubChem CID62006206
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol
SMILESCC1CCC(CN)(N(C)CCOCCO)CC1
InChIInChI=1S/C13H28N2O2/c1-12-3-5-13(11-14,6-4-12)15(2)7-9-17-10-8-16/h12,16H,3-11,14H2,1-2H3
InChIKeyQKGNESHHSYLZSW-UHFFFAOYSA-N
XLogP0.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N,4-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588438
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
CID 81059702
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552298
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
1-(aminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60893094
1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
CID 103178113
2-[2-(1,4-dimethylcyclohexyl)ethoxy]ethanol
CID 175232857
1-(aminomethyl)-N,4-dimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 62006551

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol (CID 62006206) is 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol is CC1CCC(CN)(N(C)CCOCCO)CC1.
What is the InChIKey of 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol?
The InChIKey is QKGNESHHSYLZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12-3-5-13(11-14,6-4-12)15(2)7-9-17-10-8-16/h12,16H,3-11,14H2,1-2H3.
What are the key properties of 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol?
2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol has a molecular weight of 244.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol is sourced from PubChem (CID 62006206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).