1-(2-aminopropyl)adamantan-2-ol

C13H23NO — CID 516157

IUPAC1-(2-aminopropyl)adamantan-2-ol
SMILESCC(N)CC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C13H23NO/c1-8(14)5-13-6-9-2-10(7-13)4-11(3-9)12(13)15/h8-12,15H,2-7,14H2,1H3
InChIKeySRSNNEPDAVXIDR-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.91
Rot. Bonds2

About 1-(2-aminopropyl)adamantan-2-ol

1-(2-aminopropyl)adamantan-2-ol (PubChem CID 516157) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2-aminopropyl)adamantan-2-ol.

Molecular Properties

Compound Name1-(2-aminopropyl)adamantan-2-ol
PubChem CID516157
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2-aminopropyl)adamantan-2-ol
SMILESCC(N)CC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C13H23NO/c1-8(14)5-13-6-9-2-10(7-13)4-11(3-9)12(13)15/h8-12,15H,2-7,14H2,1H3
InChIKeySRSNNEPDAVXIDR-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminopropyl)adamantan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)adamantan-2-ol?
The IUPAC name of 1-(2-aminopropyl)adamantan-2-ol (CID 516157) is 1-(2-aminopropyl)adamantan-2-ol.
What is the SMILES notation for 1-(2-aminopropyl)adamantan-2-ol?
The canonical SMILES for 1-(2-aminopropyl)adamantan-2-ol is CC(N)CC12CC3CC(CC(C3)C1O)C2.
What is the InChIKey of 1-(2-aminopropyl)adamantan-2-ol?
The InChIKey is SRSNNEPDAVXIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(14)5-13-6-9-2-10(7-13)4-11(3-9)12(13)15/h8-12,15H,2-7,14H2,1H3.
What are the key properties of 1-(2-aminopropyl)adamantan-2-ol?
1-(2-aminopropyl)adamantan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)adamantan-2-ol is sourced from PubChem (CID 516157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).