(Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine

C25H28FN3 — CID 143653790

IUPAC(Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine
SMILESN/C=C1/CC2CCCCC2C(/C=C/c2ccc(-c3cccc(F)c3)cn2)/C1=C/N
InChIInChI=1S/C25H28FN3/c26-21-6-3-5-17(13-21)19-8-9-22(29-16-19)10-11-24-23-7-2-1-4-18(23)12-20(14-27)25(24)15-28/h3,5-6,8-11,13-16,18,23-24H,1-2,4,7,12,27-28H2/b11-10+,20-14-,25-15+
InChIKeyHOWNIGMKKGBKEA-ZNAYREDVSA-N
MW389.52 g/mol
LogP5.41
Rot. Bonds3

About (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine

(Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine (PubChem CID 143653790) has the molecular formula C25H28FN3 and a molecular weight of 389.52 g/mol. Its IUPAC name is (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine
PubChem CID143653790
Molecular FormulaC25H28FN3
Molecular Weight389.52 g/mol
Exact Mass389.23
IUPAC Name(Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine
SMILESN/C=C1/CC2CCCCC2C(/C=C/c2ccc(-c3cccc(F)c3)cn2)/C1=C/N
InChIInChI=1S/C25H28FN3/c26-21-6-3-5-17(13-21)19-8-9-22(29-16-19)10-11-24-23-7-2-1-4-18(23)12-20(14-27)25(24)15-28/h3,5-6,8-11,13-16,18,23-24H,1-2,4,7,12,27-28H2/b11-10+,20-14-,25-15+
InChIKeyHOWNIGMKKGBKEA-ZNAYREDVSA-N
XLogP5.41
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine with MolForge

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Related Compounds

5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline
CID 143653819
5-(3-fluorophenyl)-2-[(E)-2-(3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethenyl]pyridine
CID 143653955
(3R,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
CID 148567975
(4S)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
CID 143261960
(3R,3aS,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
CID 142820781
4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c][1,2]thiazole 2,2-dioxide
CID 143653920
9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3,3a,4,4a,5,6,7,8,8a,9-decahydro-2H-naphtho[2,3-d][1,2]thiazol-9a-ol
CID 143653805
(3S,3aS,4S,4aR,9aS)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-2-one
CID 148747411
N-[(5aR,7R,9aR,10S)-10-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-oxo-5,5a,6,7,8,9,9a,10-octahydro-2H-benzo[g]isoquinolin-7-yl]formamide
CID 87202516
(10aS)-10-[(E)-2-[5-(3,5-difluorophenyl)-2-pyridinyl]ethenyl]-1,5,5a,6,7,8,9,9a,10,10a-decahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one;(10aS)-10-[(E)-2-[5-(3-fluorophenyl)pyrimidin-2-yl]ethenyl]-1,5,5a,6,7,8,9,9a,10,10a-decahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one;methane
CID 158582383
(8aS)-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-3-one;2-ethenyl-5-(3-fluorophenyl)pyridine;methanamine
CID 145386408
ethyl N-[(4aS,6S,8aR,9S)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-4,4a,5,6,7,8,8a,9-octahydrobenzo[f][1,2,3]benzoxadiazol-6-yl]carbamate
CID 146030704

Frequently Asked Questions

What is the IUPAC name of (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine?
The IUPAC name of (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine (CID 143653790) is (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine.
What is the SMILES notation for (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine?
The canonical SMILES for (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine is N/C=C1/CC2CCCCC2C(/C=C/c2ccc(-c3cccc(F)c3)cn2)/C1=C/N.
What is the InChIKey of (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine?
The InChIKey is HOWNIGMKKGBKEA-ZNAYREDVSA-N. The full InChI is InChI=1S/C25H28FN3/c26-21-6-3-5-17(13-21)19-8-9-22(29-16-19)10-11-24-23-7-2-1-4-18(23)12-20(14-27)25(24)15-28/h3,5-6,8-11,13-16,18,23-24H,1-2,4,7,12,27-28H2/b11-10+,20-14-,25-15+.
What are the key properties of (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine?
(Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine has a molecular weight of 389.52 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(3Z)-3-(aminomethylidene)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene]methanamine is sourced from PubChem (CID 143653790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).