4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine

C17H25ClN2OSi — CID 156678367

IUPAC4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OCC1(C#Cc2ccnc(Cl)c2N)CC1
InChIInChI=1S/C17H25ClN2OSi/c1-16(2,3)22(4,5)21-12-17(9-10-17)8-6-13-7-11-20-15(18)14(13)19/h7,11H,9-10,12,19H2,1-5H3
InChIKeyNJUXVPXPCOBBQP-UHFFFAOYSA-N
MW336.94 g/mol
LogP4.47
Rot. Bonds3

About 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine

4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine (PubChem CID 156678367) has the molecular formula C17H25ClN2OSi and a molecular weight of 336.94 g/mol. Its IUPAC name is 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine.

Molecular Properties

Compound Name4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine
PubChem CID156678367
Molecular FormulaC17H25ClN2OSi
Molecular Weight336.94 g/mol
Exact Mass336.14
IUPAC Name4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OCC1(C#Cc2ccnc(Cl)c2N)CC1
InChIInChI=1S/C17H25ClN2OSi/c1-16(2,3)22(4,5)21-12-17(9-10-17)8-6-13-7-11-20-15(18)14(13)19/h7,11H,9-10,12,19H2,1-5H3
InChIKeyNJUXVPXPCOBBQP-UHFFFAOYSA-N
XLogP4.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.94
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine?
The IUPAC name of 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine (CID 156678367) is 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine.
What is the SMILES notation for 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine?
The canonical SMILES for 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine is CC(C)(C)[Si](C)(C)OCC1(C#Cc2ccnc(Cl)c2N)CC1.
What is the InChIKey of 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine?
The InChIKey is NJUXVPXPCOBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OSi/c1-16(2,3)22(4,5)21-12-17(9-10-17)8-6-13-7-11-20-15(18)14(13)19/h7,11H,9-10,12,19H2,1-5H3.
What are the key properties of 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine?
4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine has a molecular weight of 336.94 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine is sourced from PubChem (CID 156678367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).