2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol

C12H26N2O — CID 62610999

IUPAC2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
SMILESCCC1CCC(N)C(CN(C)CCO)C1
InChIInChI=1S/C12H26N2O/c1-3-10-4-5-12(13)11(8-10)9-14(2)6-7-15/h10-12,15H,3-9,13H2,1-2H3
InChIKeyPCFYTFSMVAUYCY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.06
Rot. Bonds5

About 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol

2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol (PubChem CID 62610999) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
PubChem CID62610999
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
SMILESCCC1CCC(N)C(CN(C)CCO)C1
InChIInChI=1S/C12H26N2O/c1-3-10-4-5-12(13)11(8-10)9-14(2)6-7-15/h10-12,15H,3-9,13H2,1-2H3
InChIKeyPCFYTFSMVAUYCY-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol (CID 62610999) is 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol is CCC1CCC(N)C(CN(C)CCO)C1.
What is the InChIKey of 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol?
The InChIKey is PCFYTFSMVAUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-10-4-5-12(13)11(8-10)9-14(2)6-7-15/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol?
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol is sourced from PubChem (CID 62610999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).