4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine

C11H16FN3 — CID 105390237

IUPAC4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CC)c1nccc(CN)c1F
InChIInChI=1S/C11H16FN3/c1-3-7-15(4-2)11-10(12)9(8-13)5-6-14-11/h3,5-6H,1,4,7-8,13H2,2H3
InChIKeyFMDOAKYQCXHRIW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.69
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine

4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine (PubChem CID 105390237) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine
PubChem CID105390237
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CC)c1nccc(CN)c1F
InChIInChI=1S/C11H16FN3/c1-3-7-15(4-2)11-10(12)9(8-13)5-6-14-11/h3,5-6H,1,4,7-8,13H2,2H3
InChIKeyFMDOAKYQCXHRIW-UHFFFAOYSA-N
XLogP1.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390426
4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
CID 105390289
3-fluoro-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105388723
2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
CID 105390415
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
CID 78958811
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
4-chloro-2-N,2-N-bis(prop-2-enyl)pyridine-2,3-diamine
CID 82343473

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine (CID 105390237) is 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine is C=CCN(CC)c1nccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine?
The InChIKey is FMDOAKYQCXHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-3-7-15(4-2)11-10(12)9(8-13)5-6-14-11/h3,5-6H,1,4,7-8,13H2,2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine?
4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine has a molecular weight of 209.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 105390237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).