3-propyladamantan-1-amine

C13H23N — CID 3936236

IUPAC3-propyladamantan-1-amine
SMILESCCCC12CC3CC(CC(N)(C3)C1)C2
InChIInChI=1S/C13H23N/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11H,2-9,14H2,1H3
InChIKeyCOHBMLHLXRNIBJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.08
Rot. Bonds2

About 3-propyladamantan-1-amine

3-propyladamantan-1-amine (PubChem CID 3936236) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-propyladamantan-1-amine.

Molecular Properties

Compound Name3-propyladamantan-1-amine
PubChem CID3936236
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-propyladamantan-1-amine
SMILESCCCC12CC3CC(CC(N)(C3)C1)C2
InChIInChI=1S/C13H23N/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11H,2-9,14H2,1H3
InChIKeyCOHBMLHLXRNIBJ-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyladamantan-1-amine?
The IUPAC name of 3-propyladamantan-1-amine (CID 3936236) is 3-propyladamantan-1-amine.
What is the SMILES notation for 3-propyladamantan-1-amine?
The canonical SMILES for 3-propyladamantan-1-amine is CCCC12CC3CC(CC(N)(C3)C1)C2.
What is the InChIKey of 3-propyladamantan-1-amine?
The InChIKey is COHBMLHLXRNIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11H,2-9,14H2,1H3.
What are the key properties of 3-propyladamantan-1-amine?
3-propyladamantan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyladamantan-1-amine is sourced from PubChem (CID 3936236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).