3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine

C13H22FN3 — CID 114035397

IUPAC3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(CC)c1ncc(F)cc1CN
InChIInChI=1S/C13H22FN3/c1-4-10(3)9-17(5-2)13-11(7-15)6-12(14)8-16-13/h6,8,10H,4-5,7,9,15H2,1-3H3
InChIKeyPJUCWOFJEYWPNS-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.55
Rot. Bonds6

About 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine

3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine (PubChem CID 114035397) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine
PubChem CID114035397
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(CC)c1ncc(F)cc1CN
InChIInChI=1S/C13H22FN3/c1-4-10(3)9-17(5-2)13-11(7-15)6-12(14)8-16-13/h6,8,10H,4-5,7,9,15H2,1-3H3
InChIKeyPJUCWOFJEYWPNS-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine (CID 114035397) is 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine is CCC(C)CN(CC)c1ncc(F)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine?
The InChIKey is PJUCWOFJEYWPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-4-10(3)9-17(5-2)13-11(7-15)6-12(14)8-16-13/h6,8,10H,4-5,7,9,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine?
3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-5-fluoro-N-(2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 114035397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).