3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine

C14H22FN3 — CID 105390228

IUPAC3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(C)c1nccc(CNCC(C)C)c1F
InChIInChI=1S/C14H22FN3/c1-5-8-18(4)14-13(15)12(6-7-17-14)10-16-9-11(2)3/h5-7,11,16H,1,8-10H2,2-4H3
InChIKeyLMIWDHAFFCMBCL-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.59
Rot. Bonds7

About 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine

3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine (PubChem CID 105390228) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
PubChem CID105390228
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(C)c1nccc(CNCC(C)C)c1F
InChIInChI=1S/C14H22FN3/c1-5-8-18(4)14-13(15)12(6-7-17-14)10-16-9-11(2)3/h5-7,11,16H,1,8-10H2,2-4H3
InChIKeyLMIWDHAFFCMBCL-UHFFFAOYSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-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

3-fluoro-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105388723
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 105390125
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390310
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
CID 105390415
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105390409
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
N-[[3-fluoro-2-(1-methoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391503
N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62439717

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine (CID 105390228) is 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine is C=CCN(C)c1nccc(CNCC(C)C)c1F.
What is the InChIKey of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine?
The InChIKey is LMIWDHAFFCMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-5-8-18(4)14-13(15)12(6-7-17-14)10-16-9-11(2)3/h5-7,11,16H,1,8-10H2,2-4H3.
What are the key properties of 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine?
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 105390228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).