5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine

C12H19N3 — CID 155370631

IUPAC5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine
SMILESC/C=C\Nc1ncc(C(C)(C)C)cc1N
InChIInChI=1S/C12H19N3/c1-5-6-14-11-10(13)7-9(8-15-11)12(2,3)4/h5-8H,13H2,1-4H3,(H,14,15)/b6-5-
InChIKeyGIBFVZWSVXACLE-WAYWQWQTSA-N
MW205.30 g/mol
LogP2.91
Rot. Bonds2

About 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine

5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine (PubChem CID 155370631) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine
PubChem CID155370631
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine
SMILESC/C=C\Nc1ncc(C(C)(C)C)cc1N
InChIInChI=1S/C12H19N3/c1-5-6-14-11-10(13)7-9(8-15-11)12(2,3)4/h5-8H,13H2,1-4H3,(H,14,15)/b6-5-
InChIKeyGIBFVZWSVXACLE-WAYWQWQTSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine?
The IUPAC name of 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine (CID 155370631) is 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine?
The canonical SMILES for 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine is C/C=C\Nc1ncc(C(C)(C)C)cc1N.
What is the InChIKey of 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine?
The InChIKey is GIBFVZWSVXACLE-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-6-14-11-10(13)7-9(8-15-11)12(2,3)4/h5-8H,13H2,1-4H3,(H,14,15)/b6-5-.
What are the key properties of 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine?
5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine has a molecular weight of 205.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine is sourced from PubChem (CID 155370631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).