(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine

C11H17FN2 — CID 134604072

IUPAC(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
SMILESC/C=C(/CCN)C1=C(C)NC(F)C=C1
InChIInChI=1S/C11H17FN2/c1-3-9(6-7-13)10-4-5-11(12)14-8(10)2/h3-5,11,14H,6-7,13H2,1-2H3/b9-3-
InChIKeyMTFAUVRCINEGEI-OQFOIZHKSA-N
MW196.27 g/mol
LogP2.01
Rot. Bonds3

About (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine

(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine (PubChem CID 134604072) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
PubChem CID134604072
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
SMILESC/C=C(/CCN)C1=C(C)NC(F)C=C1
InChIInChI=1S/C11H17FN2/c1-3-9(6-7-13)10-4-5-11(12)14-8(10)2/h3-5,11,14H,6-7,13H2,1-2H3/b9-3-
InChIKeyMTFAUVRCINEGEI-OQFOIZHKSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine (CID 134604072) is (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine is C/C=C(/CCN)C1=C(C)NC(F)C=C1.
What is the InChIKey of (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine?
The InChIKey is MTFAUVRCINEGEI-OQFOIZHKSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-9(6-7-13)10-4-5-11(12)14-8(10)2/h3-5,11,14H,6-7,13H2,1-2H3/b9-3-.
What are the key properties of (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine?
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine has a molecular weight of 196.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 134604072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).