4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine

C14H22FN3 — CID 105389659

IUPAC4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1nccc(CN)c1F)C1CC1
InChIInChI=1S/C14H22FN3/c1-10(2)6-8-18(12-3-4-12)14-13(15)11(9-16)5-7-17-14/h5,7,10,12H,3-4,6,8-9,16H2,1-2H3
InChIKeyWRLNHDYOUJSYET-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.69
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine

4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 105389659) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
PubChem CID105389659
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1nccc(CN)c1F)C1CC1
InChIInChI=1S/C14H22FN3/c1-10(2)6-8-18(12-3-4-12)14-13(15)11(9-16)5-7-17-14/h5,7,10,12H,3-4,6,8-9,16H2,1-2H3
InChIKeyWRLNHDYOUJSYET-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 105389388
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridin-2-amine
CID 105389498
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
2-[cyclopropyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107547067
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine (CID 105389659) is 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(c1nccc(CN)c1F)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is WRLNHDYOUJSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-10(2)6-8-18(12-3-4-12)14-13(15)11(9-16)5-7-17-14/h5,7,10,12H,3-4,6,8-9,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine?
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 105389659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).