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2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol

C18H36N2O — CID 62707763

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
SMILESCC(C)C1CCC(N)C(CN(CCO)C2CCCCC2)C1
InChIInChI=1S/C18H36N2O/c1-14(2)15-8-9-18(19)16(12-15)13-20(10-11-21)17-6-4-3-5-7-17/h14-18,21H,3-13,19H2,1-2H3
InChIKeyABFDCUJFKLKHOQ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.01
Rot. Bonds6

About 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol

2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol (PubChem CID 62707763) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
PubChem CID62707763
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol
SMILESCC(C)C1CCC(N)C(CN(CCO)C2CCCCC2)C1
InChIInChI=1S/C18H36N2O/c1-14(2)15-8-9-18(19)16(12-15)13-20(10-11-21)17-6-4-3-5-7-17/h14-18,21H,3-13,19H2,1-2H3
InChIKeyABFDCUJFKLKHOQ-UHFFFAOYSA-N
XLogP3.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol (CID 62707763) is 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol is CC(C)C1CCC(N)C(CN(CCO)C2CCCCC2)C1.
What is the InChIKey of 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol?
The InChIKey is ABFDCUJFKLKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)15-8-9-18(19)16(12-15)13-20(10-11-21)17-6-4-3-5-7-17/h14-18,21H,3-13,19H2,1-2H3.
What are the key properties of 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol?
2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol has a molecular weight of 296.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-propan-2-ylcyclohexyl)methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 62707763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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