3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

C14H24FN3 — CID 114035468

IUPAC3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ncc(F)cc1CN)C(C)C
InChIInChI=1S/C14H24FN3/c1-9(2)13(10(3)4)8-18-14-11(6-16)5-12(15)7-17-14/h5,7,9-10,13H,6,8,16H2,1-4H3,(H,17,18)
InChIKeyFFRMADBNODICAQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds6

About 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 114035468) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID114035468
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ncc(F)cc1CN)C(C)C
InChIInChI=1S/C14H24FN3/c1-9(2)13(10(3)4)8-18-14-11(6-16)5-12(15)7-17-14/h5,7,9-10,13H,6,8,16H2,1-4H3,(H,17,18)
InChIKeyFFRMADBNODICAQ-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 114035468) is 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CC(C)C(CNc1ncc(F)cc1CN)C(C)C.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is FFRMADBNODICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-9(2)13(10(3)4)8-18-14-11(6-16)5-12(15)7-17-14/h5,7,9-10,13H,6,8,16H2,1-4H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 114035468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).