3-(1-aminopropyl)adamantan-1-ol

C13H23NO — CID 2828196

IUPAC3-(1-aminopropyl)adamantan-1-ol
SMILESCCC(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12/h9-11,15H,2-8,14H2,1H3
InChIKeyCVZCIFAVWVMZIQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.06
Rot. Bonds2

About 3-(1-aminopropyl)adamantan-1-ol

3-(1-aminopropyl)adamantan-1-ol (PubChem CID 2828196) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(1-aminopropyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(1-aminopropyl)adamantan-1-ol
PubChem CID2828196
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(1-aminopropyl)adamantan-1-ol
SMILESCCC(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12/h9-11,15H,2-8,14H2,1H3
InChIKeyCVZCIFAVWVMZIQ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)adamantan-1-ol?
The IUPAC name of 3-(1-aminopropyl)adamantan-1-ol (CID 2828196) is 3-(1-aminopropyl)adamantan-1-ol.
What is the SMILES notation for 3-(1-aminopropyl)adamantan-1-ol?
The canonical SMILES for 3-(1-aminopropyl)adamantan-1-ol is CCC(N)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-(1-aminopropyl)adamantan-1-ol?
The InChIKey is CVZCIFAVWVMZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12/h9-11,15H,2-8,14H2,1H3.
What are the key properties of 3-(1-aminopropyl)adamantan-1-ol?
3-(1-aminopropyl)adamantan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)adamantan-1-ol is sourced from PubChem (CID 2828196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).