(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine

C15H17F3N2 — CID 129044709

IUPAC(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine
SMILESCC1(C=CC(=C1)C2=CCNC(=C2)/C(=C/C(F)(F)F)/N)C
InChIInChI=1S/C15H17F3N2/c1-14(2)5-3-11(8-14)10-4-6-20-13(7-10)12(19)9-15(16,17)18/h3-5,7-9,20H,6,19H2,1-2H3/b12-9-
InChIKeyJUSIFFHEBISMNC-XFXZXTDPSA-N
MW282.30 g/mol
LogP3.30
Rot. Bonds2

About (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine

(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine (PubChem CID 129044709) has the molecular formula C15H17F3N2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine
PubChem CID129044709
Molecular FormulaC15H17F3N2
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine
SMILESCC1(C=CC(=C1)C2=CCNC(=C2)/C(=C/C(F)(F)F)/N)C
InChIInChI=1S/C15H17F3N2/c1-14(2)5-3-11(8-14)10-4-6-20-13(7-10)12(19)9-15(16,17)18/h3-5,7-9,20H,6,19H2,1-2H3/b12-9-
InChIKeyJUSIFFHEBISMNC-XFXZXTDPSA-N
XLogP3.30
TPSA38.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity558

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine with MolForge

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
1-N-[(3Z)-3-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)penta-1,3-dien-2-yl]-4,4,4-trifluorobutane-1,2-diamine
CID 134189210
Ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167043
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920
1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
CID 142862529
butane;N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
CID 143043422
N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 143303397
N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine
CID 143834921
1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]piperazine
CID 144105563
N-ethylethanamine;N-ethyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 144192263

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine?
The IUPAC name of (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine (CID 129044709) is (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine is CC1(C=CC(=C1)C2=CCNC(=C2)/C(=C/C(F)(F)F)/N)C.
What is the InChIKey of (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine?
The InChIKey is JUSIFFHEBISMNC-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-14(2)5-3-11(8-14)10-4-6-20-13(7-10)12(19)9-15(16,17)18/h3-5,7-9,20H,6,19H2,1-2H3/b12-9-.
What are the key properties of (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine?
(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine has a molecular weight of 282.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine is sourced from PubChem (CID 129044709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).