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

C13H20FN3 — CID 105389359

IUPAC4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
SMILESCCCCN(c1nccc(CN)c1F)C1CC1
InChIInChI=1S/C13H20FN3/c1-2-3-8-17(11-4-5-11)13-12(14)10(9-15)6-7-16-13/h6-7,11H,2-5,8-9,15H2,1H3
InChIKeyKNFMYARGBUKHAI-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.45
Rot. Bonds6

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

4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine (PubChem CID 105389359) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
PubChem CID105389359
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
SMILESCCCCN(c1nccc(CN)c1F)C1CC1
InChIInChI=1S/C13H20FN3/c1-2-3-8-17(11-4-5-11)13-12(14)10(9-15)6-7-16-13/h6-7,11H,2-5,8-9,15H2,1H3
InChIKeyKNFMYARGBUKHAI-UHFFFAOYSA-N
XLogP2.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridin-2-amine
CID 105389498
4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine
CID 114057413
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806
3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
CID 105385441

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine (CID 105389359) is 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine is CCCCN(c1nccc(CN)c1F)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine?
The InChIKey is KNFMYARGBUKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-2-3-8-17(11-4-5-11)13-12(14)10(9-15)6-7-16-13/h6-7,11H,2-5,8-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine?
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 105389359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).