2-tert-butyl-3-isocyanopyridin-4-amine

C10H13N3 — CID 157368113

IUPAC2-tert-butyl-3-isocyanopyridin-4-amine
SMILES[C-]#[N+]c1c(N)ccnc1C(C)(C)C
InChIInChI=1S/C10H13N3/c1-10(2,3)9-8(12-4)7(11)5-6-13-9/h5-6H,1-3H3,(H2,11,13)
InChIKeyVZRRGQYWFGFYFQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.51
Rot. Bonds

About 2-tert-butyl-3-isocyanopyridin-4-amine

2-tert-butyl-3-isocyanopyridin-4-amine (PubChem CID 157368113) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-tert-butyl-3-isocyanopyridin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-3-isocyanopyridin-4-amine
PubChem CID157368113
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-tert-butyl-3-isocyanopyridin-4-amine
SMILES[C-]#[N+]c1c(N)ccnc1C(C)(C)C
InChIInChI=1S/C10H13N3/c1-10(2,3)9-8(12-4)7(11)5-6-13-9/h5-6H,1-3H3,(H2,11,13)
InChIKeyVZRRGQYWFGFYFQ-UHFFFAOYSA-N
XLogP2.51
TPSA43.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-isocyanopyridin-4-amine?
The IUPAC name of 2-tert-butyl-3-isocyanopyridin-4-amine (CID 157368113) is 2-tert-butyl-3-isocyanopyridin-4-amine.
What is the SMILES notation for 2-tert-butyl-3-isocyanopyridin-4-amine?
The canonical SMILES for 2-tert-butyl-3-isocyanopyridin-4-amine is [C-]#[N+]c1c(N)ccnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-isocyanopyridin-4-amine?
The InChIKey is VZRRGQYWFGFYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-10(2,3)9-8(12-4)7(11)5-6-13-9/h5-6H,1-3H3,(H2,11,13).
What are the key properties of 2-tert-butyl-3-isocyanopyridin-4-amine?
2-tert-butyl-3-isocyanopyridin-4-amine has a molecular weight of 175.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-isocyanopyridin-4-amine is sourced from PubChem (CID 157368113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).