4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine

C10H16FN3 — CID 105390366

IUPAC4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine
SMILESCC(C)(C)Nc1nccc(CN)c1F
InChIInChI=1S/C10H16FN3/c1-10(2,3)14-9-8(11)7(6-12)4-5-13-9/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyYGYBOALZWQDUBE-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.89
Rot. Bonds2

About 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine

4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine (PubChem CID 105390366) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine
PubChem CID105390366
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine
SMILESCC(C)(C)Nc1nccc(CN)c1F
InChIInChI=1S/C10H16FN3/c1-10(2,3)14-9-8(11)7(6-12)4-5-13-9/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyYGYBOALZWQDUBE-UHFFFAOYSA-N
XLogP1.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine (CID 105390366) is 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine is CC(C)(C)Nc1nccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine?
The InChIKey is YGYBOALZWQDUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-10(2,3)14-9-8(11)7(6-12)4-5-13-9/h4-5H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine?
4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine has a molecular weight of 197.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 105390366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).