3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C14H22FN3 — CID 105390409

IUPAC3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESC=C(C)CN(C)c1nccc(CNC(C)C)c1F
InChIInChI=1S/C14H22FN3/c1-10(2)9-18(5)14-13(15)12(6-7-16-14)8-17-11(3)4/h6-7,11,17H,1,8-9H2,2-5H3
InChIKeyPJDYRGRBTUDPDY-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.73
Rot. Bonds6

About 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 105390409) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID105390409
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESC=C(C)CN(C)c1nccc(CNC(C)C)c1F
InChIInChI=1S/C14H22FN3/c1-10(2)9-18(5)14-13(15)12(6-7-16-14)8-17-11(3)4/h6-7,11,17H,1,8-9H2,2-5H3
InChIKeyPJDYRGRBTUDPDY-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 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 ≤ 52.73
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

N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389180
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 105390228
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
N-ethyl-N-(2-methylprop-2-enyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62279471
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
CID 105390901

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 105390409) is 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is C=C(C)CN(C)c1nccc(CNC(C)C)c1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is PJDYRGRBTUDPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-10(2)9-18(5)14-13(15)12(6-7-16-14)8-17-11(3)4/h6-7,11,17H,1,8-9H2,2-5H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 105390409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).