5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine

C17H23ClN2 — CID 79988012

IUPAC5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine
SMILESCC12CC3CC(C)(C1)CC(Nc1ccc(Cl)cn1)(C3)C2
InChIInChI=1S/C17H23ClN2/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)20-14-4-3-13(18)8-19-14/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,19,20)
InChIKeyXPNLDAJDYYUWEG-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.90
Rot. Bonds2

About 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine

5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine (PubChem CID 79988012) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine
PubChem CID79988012
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine
SMILESCC12CC3CC(C)(C1)CC(Nc1ccc(Cl)cn1)(C3)C2
InChIInChI=1S/C17H23ClN2/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)20-14-4-3-13(18)8-19-14/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,19,20)
InChIKeyXPNLDAJDYYUWEG-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine (CID 79988012) is 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine is CC12CC3CC(C)(C1)CC(Nc1ccc(Cl)cn1)(C3)C2.
What is the InChIKey of 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine?
The InChIKey is XPNLDAJDYYUWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)20-14-4-3-13(18)8-19-14/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine?
5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine has a molecular weight of 290.84 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethyl-1-adamantyl)pyridin-2-amine is sourced from PubChem (CID 79988012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).