2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol

C17H34N2O — CID 102870921

IUPAC2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
SMILESCC(C)(C)C1CCC(N)C(CN(CCO)C2CCC2)C1
InChIInChI=1S/C17H34N2O/c1-17(2,3)14-7-8-16(18)13(11-14)12-19(9-10-20)15-5-4-6-15/h13-16,20H,4-12,18H2,1-3H3
InChIKeyJUSHCISPDYPVTE-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.62
Rot. Bonds5

About 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol

2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol (PubChem CID 102870921) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
PubChem CID102870921
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
SMILESCC(C)(C)C1CCC(N)C(CN(CCO)C2CCC2)C1
InChIInChI=1S/C17H34N2O/c1-17(2,3)14-7-8-16(18)13(11-14)12-19(9-10-20)15-5-4-6-15/h13-16,20H,4-12,18H2,1-3H3
InChIKeyJUSHCISPDYPVTE-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
CID 55094183
2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62707763
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
CID 63483790
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62608943
2-[(2-aminocycloheptyl)methyl-cyclobutylamino]ethanol
CID 102870978
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610274
2-[cyclopropyl-[(2-methylcyclohexyl)methyl]amino]ethanol
CID 104517048
4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 63494955
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
2-[cyclobutyl-[[2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870950
4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 63487546

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol (CID 102870921) is 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol is CC(C)(C)C1CCC(N)C(CN(CCO)C2CCC2)C1.
What is the InChIKey of 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol?
The InChIKey is JUSHCISPDYPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-17(2,3)14-7-8-16(18)13(11-14)12-19(9-10-20)15-5-4-6-15/h13-16,20H,4-12,18H2,1-3H3.
What are the key properties of 2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol?
2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol has a molecular weight of 282.47 g/mol, XLogP of 2.62, 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-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102870921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).