2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol

C18H36N2O — CID 102637096

IUPAC2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(CC1CC(C(C)(C)C)CCC1N)C1CCCCC1O
InChIInChI=1S/C18H36N2O/c1-18(2,3)14-9-10-15(19)13(11-14)12-20(4)16-7-5-6-8-17(16)21/h13-17,21H,5-12,19H2,1-4H3
InChIKeyVUILZWGDCCJFJH-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.01
Rot. Bonds3

About 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol

2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 102637096) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
PubChem CID102637096
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(CC1CC(C(C)(C)C)CCC1N)C1CCCCC1O
InChIInChI=1S/C18H36N2O/c1-18(2,3)14-9-10-15(19)13(11-14)12-20(4)16-7-5-6-8-17(16)21/h13-17,21H,5-12,19H2,1-4H3
InChIKeyVUILZWGDCCJFJH-UHFFFAOYSA-N
XLogP3.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.01
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-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol (CID 102637096) is 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol is CN(CC1CC(C(C)(C)C)CCC1N)C1CCCCC1O.
What is the InChIKey of 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is VUILZWGDCCJFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-18(2,3)14-9-10-15(19)13(11-14)12-20(4)16-7-5-6-8-17(16)21/h13-17,21H,5-12,19H2,1-4H3.
What are the key properties of 2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol?
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 3.01, 3 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-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102637096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).