N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine

C23H28N2 — CID 118215671

IUPACN-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine
SMILESCc1ccccc1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C23H28N2/c1-16-4-2-3-5-22(16)20-6-7-21(24-14-20)15-25-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-7,14,17-19,25H,8-13,15H2,1H3
InChIKeyLQAOHKUZDZKEOW-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.12
Rot. Bonds4

About N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine

N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine (PubChem CID 118215671) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine
PubChem CID118215671
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC NameN-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine
SMILESCc1ccccc1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C23H28N2/c1-16-4-2-3-5-22(16)20-6-7-21(24-14-20)15-25-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-7,14,17-19,25H,8-13,15H2,1H3
InChIKeyLQAOHKUZDZKEOW-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine (CID 118215671) is N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine is Cc1ccccc1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine?
The InChIKey is LQAOHKUZDZKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-16-4-2-3-5-22(16)20-6-7-21(24-14-20)15-25-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-7,14,17-19,25H,8-13,15H2,1H3.
What are the key properties of N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine?
N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine has a molecular weight of 332.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]adamantan-1-amine is sourced from PubChem (CID 118215671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).