(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine

C18H26N2 — CID 105006638

IUPAC(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H26N2/c1-12-3-4-20-10-15(12)16(19)18-8-13-5-14(9-18)7-17(2,6-13)11-18/h3-4,10,13-14,16H,5-9,11,19H2,1-2H3
InChIKeyGTKSNZNVTGNAAI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.00
Rot. Bonds2

About (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine

(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine (PubChem CID 105006638) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine
PubChem CID105006638
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H26N2/c1-12-3-4-20-10-15(12)16(19)18-8-13-5-14(9-18)7-17(2,6-13)11-18/h3-4,10,13-14,16H,5-9,11,19H2,1-2H3
InChIKeyGTKSNZNVTGNAAI-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine 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 (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine (CID 105006638) is (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is GTKSNZNVTGNAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12-3-4-20-10-15(12)16(19)18-8-13-5-14(9-18)7-17(2,6-13)11-18/h3-4,10,13-14,16H,5-9,11,19H2,1-2H3.
What are the key properties of (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine?
(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 270.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105006638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).