1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol

C14H26N2O — CID 141346144

IUPAC1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C14H26N2O/c1-13(2,17)8-16-14-5-9-3-10(6-14)12(15)11(4-9)7-14/h9-12,16-17H,3-8,15H2,1-2H3
InChIKeyYAHLTEMZNLLMGU-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.25
Rot. Bonds3

About 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol

1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol (PubChem CID 141346144) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol
PubChem CID141346144
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNC12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C14H26N2O/c1-13(2,17)8-16-14-5-9-3-10(6-14)12(15)11(4-9)7-14/h9-12,16-17H,3-8,15H2,1-2H3
InChIKeyYAHLTEMZNLLMGU-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol (CID 141346144) is 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol is CC(C)(O)CNC12CC3CC(C1)C(N)C(C3)C2.
What is the InChIKey of 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol?
The InChIKey is YAHLTEMZNLLMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2,17)8-16-14-5-9-3-10(6-14)12(15)11(4-9)7-14/h9-12,16-17H,3-8,15H2,1-2H3.
What are the key properties of 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol?
1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1-adamantyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 141346144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).