5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine

C18H28FN3 — CID 166703431

IUPAC5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine
SMILESC=CCCC1=C(C)N(C)CCC1N(C)CC1=CC(F)=CNC1
InChIInChI=1S/C18H28FN3/c1-5-6-7-17-14(2)21(3)9-8-18(17)22(4)13-15-10-16(19)12-20-11-15/h5,10,12,18,20H,1,6-9,11,13H2,2-4H3
InChIKeyKDEYERKAHVTNBI-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.20
Rot. Bonds6

About 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine

5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine (PubChem CID 166703431) has the molecular formula C18H28FN3 and a molecular weight of 305.44 g/mol. Its IUPAC name is 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine
PubChem CID166703431
Molecular FormulaC18H28FN3
Molecular Weight305.44 g/mol
Exact Mass305.23
IUPAC Name5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine
SMILESC=CCCC1=C(C)N(C)CCC1N(C)CC1=CC(F)=CNC1
InChIInChI=1S/C18H28FN3/c1-5-6-7-17-14(2)21(3)9-8-18(17)22(4)13-15-10-16(19)12-20-11-15/h5,10,12,18,20H,1,6-9,11,13H2,2-4H3
InChIKeyKDEYERKAHVTNBI-UHFFFAOYSA-N
XLogP3.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-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

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
N-[(5Z,6E)-3-[(1E,3E)-1-amino-4-fluorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085334
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085336
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
(8aS)-2-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,8,8a-tetrahydroquinolin-5-amine
CID 89789162
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
(2S,8aS)-N-ethyl-2-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-N-methyl-1,2,8,8a-tetrahydroquinolin-7-amine
CID 121321850
5-fluoro-3-[1-[3-[(E)-2-methylhex-3-en-3-yl]-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-1-yl]ethyl]-1,2-dihydropyridine
CID 130389473
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
3-[(7E)-8-ethyl-7-[(E)-2-fluoroprop-1-enyl]-4-methylidene-2,3,5,6-tetrahydroazocin-1-yl]cyclohexan-1-amine
CID 137467490
(6aS)-5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-6a,8-dimethyl-1,2,10a,11-tetrahydrobenzo[b][1]benzazepine
CID 139447422
3-N-[6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-2,3-dihydroisoquinolin-8-yl]heptane-1,3-diamine
CID 143967565

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine?
The IUPAC name of 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine (CID 166703431) is 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine is C=CCCC1=C(C)N(C)CCC1N(C)CC1=CC(F)=CNC1.
What is the InChIKey of 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine?
The InChIKey is KDEYERKAHVTNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3/c1-5-6-7-17-14(2)21(3)9-8-18(17)22(4)13-15-10-16(19)12-20-11-15/h5,10,12,18,20H,1,6-9,11,13H2,2-4H3.
What are the key properties of 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine?
5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine has a molecular weight of 305.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-N-[(5-fluoro-1,2-dihydropyridin-3-yl)methyl]-N,1,6-trimethyl-3,4-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 166703431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).