N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine

C18H29N3 — CID 79997673

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine
SMILESCc1cc(CNC23CC4CC(C)(CC(C)(C4)C2)C3)n(C)n1
InChIInChI=1S/C18H29N3/c1-13-5-15(21(4)20-13)9-19-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h5,14,19H,6-12H2,1-4H3
InChIKeyJDGFWMPUWNOGLJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.57
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine (PubChem CID 79997673) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine
PubChem CID79997673
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine
SMILESCc1cc(CNC23CC4CC(C)(CC(C)(C4)C2)C3)n(C)n1
InChIInChI=1S/C18H29N3/c1-13-5-15(21(4)20-13)9-19-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h5,14,19H,6-12H2,1-4H3
InChIKeyJDGFWMPUWNOGLJ-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine (CID 79997673) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine is Cc1cc(CNC23CC4CC(C)(CC(C)(C4)C2)C3)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine?
The InChIKey is JDGFWMPUWNOGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13-5-15(21(4)20-13)9-19-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h5,14,19H,6-12H2,1-4H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 79997673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).