(3-amino-5-methyl-1-adamantyl)methanol

C12H21NO — CID 2850520

IUPAC(3-amino-5-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(N)(C1)CC(CO)(C3)C2
InChIInChI=1S/C12H21NO/c1-10-2-9-3-11(5-10,8-14)7-12(13,4-9)6-10/h9,14H,2-8,13H2,1H3
InChIKeyYANGLOGEEOBUMT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.67
Rot. Bonds1

About (3-amino-5-methyl-1-adamantyl)methanol

(3-amino-5-methyl-1-adamantyl)methanol (PubChem CID 2850520) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3-amino-5-methyl-1-adamantyl)methanol.

Molecular Properties

Compound Name(3-amino-5-methyl-1-adamantyl)methanol
PubChem CID2850520
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3-amino-5-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(N)(C1)CC(CO)(C3)C2
InChIInChI=1S/C12H21NO/c1-10-2-9-3-11(5-10,8-14)7-12(13,4-9)6-10/h9,14H,2-8,13H2,1H3
InChIKeyYANGLOGEEOBUMT-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1-adamantyl)methanol?
The IUPAC name of (3-amino-5-methyl-1-adamantyl)methanol (CID 2850520) is (3-amino-5-methyl-1-adamantyl)methanol.
What is the SMILES notation for (3-amino-5-methyl-1-adamantyl)methanol?
The canonical SMILES for (3-amino-5-methyl-1-adamantyl)methanol is CC12CC3CC(N)(C1)CC(CO)(C3)C2.
What is the InChIKey of (3-amino-5-methyl-1-adamantyl)methanol?
The InChIKey is YANGLOGEEOBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-2-9-3-11(5-10,8-14)7-12(13,4-9)6-10/h9,14H,2-8,13H2,1H3.
What are the key properties of (3-amino-5-methyl-1-adamantyl)methanol?
(3-amino-5-methyl-1-adamantyl)methanol has a molecular weight of 195.31 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1-adamantyl)methanol is sourced from PubChem (CID 2850520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).