4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine

C11H16FN3 — CID 112567142

IUPAC4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine
SMILESNCC(F)(Cc1ccnc(N)c1)C1CC1
InChIInChI=1S/C11H16FN3/c12-11(7-13,9-1-2-9)6-8-3-4-15-10(14)5-8/h3-5,9H,1-2,6-7,13H2,(H2,14,15)
InChIKeyIJTLPTCZOMNWTN-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.28
Rot. Bonds4

About 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine

4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine (PubChem CID 112567142) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine
PubChem CID112567142
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine
SMILESNCC(F)(Cc1ccnc(N)c1)C1CC1
InChIInChI=1S/C11H16FN3/c12-11(7-13,9-1-2-9)6-8-3-4-15-10(14)5-8/h3-5,9H,1-2,6-7,13H2,(H2,14,15)
InChIKeyIJTLPTCZOMNWTN-UHFFFAOYSA-N
XLogP1.28
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine?
The IUPAC name of 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine (CID 112567142) is 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine?
The canonical SMILES for 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine is NCC(F)(Cc1ccnc(N)c1)C1CC1.
What is the InChIKey of 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine?
The InChIKey is IJTLPTCZOMNWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c12-11(7-13,9-1-2-9)6-8-3-4-15-10(14)5-8/h3-5,9H,1-2,6-7,13H2,(H2,14,15).
What are the key properties of 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine?
4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine has a molecular weight of 209.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-cyclopropyl-2-fluoropropyl)pyridin-2-amine is sourced from PubChem (CID 112567142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).