2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine

C16H25ClN2O — CID 65482965

IUPAC2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H25ClN2O/c1-10(2)9-20-13-8-12(16(13,4)5)19-14-11(3)6-7-18-15(14)17/h6-7,10,12-13,19H,8-9H2,1-5H3
InChIKeySZTADGXSCFMXKN-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.30
Rot. Bonds5

About 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine

2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine (PubChem CID 65482965) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine
PubChem CID65482965
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H25ClN2O/c1-10(2)9-20-13-8-12(16(13,4)5)19-14-11(3)6-7-18-15(14)17/h6-7,10,12-13,19H,8-9H2,1-5H3
InChIKeySZTADGXSCFMXKN-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine (CID 65482965) is 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine?
The InChIKey is SZTADGXSCFMXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-10(2)9-20-13-8-12(16(13,4)5)19-14-11(3)6-7-18-15(14)17/h6-7,10,12-13,19H,8-9H2,1-5H3.
What are the key properties of 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine?
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine has a molecular weight of 296.84 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65482965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).