N-benzyladamantan-1-amine

C17H23N — CID 3010115

IUPACN-benzyladamantan-1-amine
SMILESc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23N/c1-2-4-13(5-3-1)12-18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2
InChIKeyOFNIFAABSYOPSM-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.74
Rot. Bonds3

About N-benzyladamantan-1-amine

N-benzyladamantan-1-amine (PubChem CID 3010115) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-benzyladamantan-1-amine.

Molecular Properties

Compound NameN-benzyladamantan-1-amine
PubChem CID3010115
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-benzyladamantan-1-amine
SMILESc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H23N/c1-2-4-13(5-3-1)12-18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2
InChIKeyOFNIFAABSYOPSM-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyladamantan-1-amine?
The IUPAC name of N-benzyladamantan-1-amine (CID 3010115) is N-benzyladamantan-1-amine.
What is the SMILES notation for N-benzyladamantan-1-amine?
The canonical SMILES for N-benzyladamantan-1-amine is c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-benzyladamantan-1-amine?
The InChIKey is OFNIFAABSYOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-4-13(5-3-1)12-18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2.
What are the key properties of N-benzyladamantan-1-amine?
N-benzyladamantan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyladamantan-1-amine is sourced from PubChem (CID 3010115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).