5-methoxy-N-propan-2-yladamantan-2-amine

C14H25NO — CID 135290917

IUPAC5-methoxy-N-propan-2-yladamantan-2-amine
SMILESCOC12CC3CC(C1)C(NC(C)C)C(C3)C2
InChIInChI=1S/C14H25NO/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)16-3/h9-13,15H,4-8H2,1-3H3
InChIKeyFJLBIPFHAKJFJH-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds3

About 5-methoxy-N-propan-2-yladamantan-2-amine

5-methoxy-N-propan-2-yladamantan-2-amine (PubChem CID 135290917) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-methoxy-N-propan-2-yladamantan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-propan-2-yladamantan-2-amine
PubChem CID135290917
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name5-methoxy-N-propan-2-yladamantan-2-amine
SMILESCOC12CC3CC(C1)C(NC(C)C)C(C3)C2
InChIInChI=1S/C14H25NO/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)16-3/h9-13,15H,4-8H2,1-3H3
InChIKeyFJLBIPFHAKJFJH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-N-propan-2-yladamantan-2-amine 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 5-methoxy-N-propan-2-yladamantan-2-amine?
The IUPAC name of 5-methoxy-N-propan-2-yladamantan-2-amine (CID 135290917) is 5-methoxy-N-propan-2-yladamantan-2-amine.
What is the SMILES notation for 5-methoxy-N-propan-2-yladamantan-2-amine?
The canonical SMILES for 5-methoxy-N-propan-2-yladamantan-2-amine is COC12CC3CC(C1)C(NC(C)C)C(C3)C2.
What is the InChIKey of 5-methoxy-N-propan-2-yladamantan-2-amine?
The InChIKey is FJLBIPFHAKJFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)15-13-11-4-10-5-12(13)8-14(6-10,7-11)16-3/h9-13,15H,4-8H2,1-3H3.
What are the key properties of 5-methoxy-N-propan-2-yladamantan-2-amine?
5-methoxy-N-propan-2-yladamantan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propan-2-yladamantan-2-amine is sourced from PubChem (CID 135290917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).